N-[(3S,4S)-1-[(2,2-difluorocyclopropyl)methyl]-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide

C27H26F4N6O3 — CID 134211708

IUPACN-[(3S,4S)-1-[(2,2-difluorocyclopropyl)methyl]-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(CC2CC2(F)F)C[C@@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C27H26F4N6O3/c28-16-2-3-17(19(29)10-16)22-11-21(36-40-22)24(39)34-20-4-9-37(13-15-12-27(15,30)31)14-18(20)23(38)35-26(5-6-26)25-32-7-1-8-33-25/h1-3,7-8,10-11,15,18,20H,4-6,9,12-14H2,(H,34,39)(H,35,38)/t15?,18-,20-/m0/s1
InChIKeyIQEIMOLZVPNHHL-AKPNPTIESA-N
MW558.54 g/mol
LogP3.29
Rot. Bonds8

About N-[(3S,4S)-1-[(2,2-difluorocyclopropyl)methyl]-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide

N-[(3S,4S)-1-[(2,2-difluorocyclopropyl)methyl]-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 134211708) has the molecular formula C27H26F4N6O3 and a molecular weight of 558.54 g/mol. Its IUPAC name is N-[(3S,4S)-1-[(2,2-difluorocyclopropyl)methyl]-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-1-[(2,2-difluorocyclopropyl)methyl]-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID134211708
Molecular FormulaC27H26F4N6O3
Molecular Weight558.54 g/mol
Exact Mass558.20
IUPAC NameN-[(3S,4S)-1-[(2,2-difluorocyclopropyl)methyl]-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(CC2CC2(F)F)C[C@@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C27H26F4N6O3/c28-16-2-3-17(19(29)10-16)22-11-21(36-40-22)24(39)34-20-4-9-37(13-15-12-27(15,30)31)14-18(20)23(38)35-26(5-6-26)25-32-7-1-8-33-25/h1-3,7-8,10-11,15,18,20H,4-6,9,12-14H2,(H,34,39)(H,35,38)/t15?,18-,20-/m0/s1
InChIKeyIQEIMOLZVPNHHL-AKPNPTIESA-N
XLogP3.29
TPSA113.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.54
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3S,4S)-1-[(2,2-difluorocyclopropyl)methyl]-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,4-difluorophenyl)-N-[(3R,4S)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 175719275
N-[(3R,4R)-1-(cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 164607309
ethyl 1-[[(3S,4S)-1-(cyclopropylmethyl)-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carbonyl]amino]cyclopropane-1-carboxylate
CID 138676199
N-[(3R,4R)-1-(cyclopropylmethyl)-3-(methoxymethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 134209326
N-[(3S,4S)-1-cyclobutyl-3-[[1-(2-methylphenyl)cyclopropyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 156688580
4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-[(1-methylcyclobutyl)methyl]piperidine-3-carboxylic acid
CID 134209470
tert-butyl (3S,4S)-4-[[5-(2,4-difluorophenyl)-1,3-oxazole-2-carbonyl]amino]-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidine-1-carboxylate
CID 134211564
5-(2,4-difluorophenyl)-N-[(3R,4R)-3-(dimethylcarbamoyl)-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 138676410
(3S,4S)-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-(2-methylpropyl)piperidine-3-carboxylic acid
CID 134210401
(3S,4S)-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 134209960
N-[1-cyclohexyl-3-(methylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 138676272
N-[(3S,4S)-1-cyclobutyl-3-(1-pyrimidin-2-ylethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 164607348

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-[(2,2-difluorocyclopropyl)methyl]-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3S,4S)-1-[(2,2-difluorocyclopropyl)methyl]-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide (CID 134211708) is N-[(3S,4S)-1-[(2,2-difluorocyclopropyl)methyl]-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3S,4S)-1-[(2,2-difluorocyclopropyl)methyl]-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3S,4S)-1-[(2,2-difluorocyclopropyl)methyl]-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide is O=C(N[C@H]1CCN(CC2CC2(F)F)C[C@@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1.
What is the InChIKey of N-[(3S,4S)-1-[(2,2-difluorocyclopropyl)methyl]-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is IQEIMOLZVPNHHL-AKPNPTIESA-N. The full InChI is InChI=1S/C27H26F4N6O3/c28-16-2-3-17(19(29)10-16)22-11-21(36-40-22)24(39)34-20-4-9-37(13-15-12-27(15,30)31)14-18(20)23(38)35-26(5-6-26)25-32-7-1-8-33-25/h1-3,7-8,10-11,15,18,20H,4-6,9,12-14H2,(H,34,39)(H,35,38)/t15?,18-,20-/m0/s1.
What are the key properties of N-[(3S,4S)-1-[(2,2-difluorocyclopropyl)methyl]-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
N-[(3S,4S)-1-[(2,2-difluorocyclopropyl)methyl]-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 558.54 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-[(2,2-difluorocyclopropyl)methyl]-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 134211708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).