N-[(3S,4S)-1-cyclobutyl-3-[[1-(2-methylphenyl)cyclopropyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide

C30H32F2N4O3 — CID 156688580

IUPACN-[(3S,4S)-1-cyclobutyl-3-[[1-(2-methylphenyl)cyclopropyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccccc1C1(NC(=O)[C@H]2CN(C3CCC3)CC[C@@H]2NC(=O)c2cc(-c3ccc(F)cc3F)on2)CC1
InChIInChI=1S/C30H32F2N4O3/c1-18-5-2-3-8-23(18)30(12-13-30)34-28(37)22-17-36(20-6-4-7-20)14-11-25(22)33-29(38)26-16-27(39-35-26)21-10-9-19(31)15-24(21)32/h2-3,5,8-10,15-16,20,22,25H,4,6-7,11-14,17H2,1H3,(H,33,38)(H,34,37)/t22-,25-/m0/s1
InChIKeyRTTUBVBUMAQJPJ-DHLKQENFSA-N
MW534.61 g/mol
LogP4.71
Rot. Bonds7

About N-[(3S,4S)-1-cyclobutyl-3-[[1-(2-methylphenyl)cyclopropyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide

N-[(3S,4S)-1-cyclobutyl-3-[[1-(2-methylphenyl)cyclopropyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 156688580) has the molecular formula C30H32F2N4O3 and a molecular weight of 534.61 g/mol. Its IUPAC name is N-[(3S,4S)-1-cyclobutyl-3-[[1-(2-methylphenyl)cyclopropyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-1-cyclobutyl-3-[[1-(2-methylphenyl)cyclopropyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID156688580
Molecular FormulaC30H32F2N4O3
Molecular Weight534.61 g/mol
Exact Mass534.24
IUPAC NameN-[(3S,4S)-1-cyclobutyl-3-[[1-(2-methylphenyl)cyclopropyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccccc1C1(NC(=O)[C@H]2CN(C3CCC3)CC[C@@H]2NC(=O)c2cc(-c3ccc(F)cc3F)on2)CC1
InChIInChI=1S/C30H32F2N4O3/c1-18-5-2-3-8-23(18)30(12-13-30)34-28(37)22-17-36(20-6-4-7-20)14-11-25(22)33-29(38)26-16-27(39-35-26)21-10-9-19(31)15-24(21)32/h2-3,5,8-10,15-16,20,22,25H,4,6-7,11-14,17H2,1H3,(H,33,38)(H,34,37)/t22-,25-/m0/s1
InChIKeyRTTUBVBUMAQJPJ-DHLKQENFSA-N
XLogP4.71
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.61
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4S)-1-cyclobutyl-3-[[1-(2-methylphenyl)cyclopropyl]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

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-cyclobutyl-3-[[1-(2-methylphenyl)cyclopropyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 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) is N-[(3S,4S)-1-cyclobutyl-3-[[1-(2-methylphenyl)cyclopropyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3S,4S)-1-cyclobutyl-3-[[1-(2-methylphenyl)cyclopropyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3S,4S)-1-cyclobutyl-3-[[1-(2-methylphenyl)cyclopropyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide is Cc1ccccc1C1(NC(=O)[C@H]2CN(C3CCC3)CC[C@@H]2NC(=O)c2cc(-c3ccc(F)cc3F)on2)CC1.
What is the InChIKey of N-[(3S,4S)-1-cyclobutyl-3-[[1-(2-methylphenyl)cyclopropyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RTTUBVBUMAQJPJ-DHLKQENFSA-N. The full InChI is InChI=1S/C30H32F2N4O3/c1-18-5-2-3-8-23(18)30(12-13-30)34-28(37)22-17-36(20-6-4-7-20)14-11-25(22)33-29(38)26-16-27(39-35-26)21-10-9-19(31)15-24(21)32/h2-3,5,8-10,15-16,20,22,25H,4,6-7,11-14,17H2,1H3,(H,33,38)(H,34,37)/t22-,25-/m0/s1.
What are the key properties of N-[(3S,4S)-1-cyclobutyl-3-[[1-(2-methylphenyl)cyclopropyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
N-[(3S,4S)-1-cyclobutyl-3-[[1-(2-methylphenyl)cyclopropyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 534.61 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-cyclobutyl-3-[[1-(2-methylphenyl)cyclopropyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 156688580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).