N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide

C26H28N4O3 — CID 86887849

IUPACN-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESNC(=O)C1CCCN(Cc2ccc(NC(=O)c3nc(-c4ccccc4)oc3C3CC3)cc2)C1
InChIInChI=1S/C26H28N4O3/c27-24(31)20-7-4-14-30(16-20)15-17-8-12-21(13-9-17)28-25(32)22-23(18-10-11-18)33-26(29-22)19-5-2-1-3-6-19/h1-3,5-6,8-9,12-13,18,20H,4,7,10-11,14-16H2,(H2,27,31)(H,28,32)
InChIKeyUEMITUVJDNKIBQ-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.17
Rot. Bonds7

About N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide

N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 86887849) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID86887849
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESNC(=O)C1CCCN(Cc2ccc(NC(=O)c3nc(-c4ccccc4)oc3C3CC3)cc2)C1
InChIInChI=1S/C26H28N4O3/c27-24(31)20-7-4-14-30(16-20)15-17-8-12-21(13-9-17)28-25(32)22-23(18-10-11-18)33-26(29-22)19-5-2-1-3-6-19/h1-3,5-6,8-9,12-13,18,20H,4,7,10-11,14-16H2,(H2,27,31)(H,28,32)
InChIKeyUEMITUVJDNKIBQ-UHFFFAOYSA-N
XLogP4.17
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-[(2-amino-3-phenylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872112
1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872163
N-[4-(cyclopentylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841240
1-[[4-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506879
1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506760
1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56509542
(3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide
CID 9306022
1-[[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506880
1-[[4-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56507902
1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 119872107
N-[4-(2-cyanopropan-2-yl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841134
6-tert-butyl-N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide
CID 56508501

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide (CID 86887849) is N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide is NC(=O)C1CCCN(Cc2ccc(NC(=O)c3nc(-c4ccccc4)oc3C3CC3)cc2)C1.
What is the InChIKey of N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is UEMITUVJDNKIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c27-24(31)20-7-4-14-30(16-20)15-17-8-12-21(13-9-17)28-25(32)22-23(18-10-11-18)33-26(29-22)19-5-2-1-3-6-19/h1-3,5-6,8-9,12-13,18,20H,4,7,10-11,14-16H2,(H2,27,31)(H,28,32).
What are the key properties of N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide?
N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86887849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).