5-methyl-N-[(3S)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-1,2-oxazole-3-carboxamide

C16H24N4O3 — CID 96576211

IUPAC5-methyl-N-[(3S)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCCCN(C(=O)N3CCCC3)C2)no1
InChIInChI=1S/C16H24N4O3/c1-12-10-14(18-23-12)15(21)17-13-6-2-3-9-20(11-13)16(22)19-7-4-5-8-19/h10,13H,2-9,11H2,1H3,(H,17,21)/t13-/m0/s1
InChIKeyOXJOSUYZBYLQAU-ZDUSSCGKSA-N
MW320.39 g/mol
LogP1.78
Rot. Bonds2

About 5-methyl-N-[(3S)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-1,2-oxazole-3-carboxamide

5-methyl-N-[(3S)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 96576211) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 5-methyl-N-[(3S)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(3S)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID96576211
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name5-methyl-N-[(3S)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCCCN(C(=O)N3CCCC3)C2)no1
InChIInChI=1S/C16H24N4O3/c1-12-10-14(18-23-12)15(21)17-13-6-2-3-9-20(11-13)16(22)19-7-4-5-8-19/h10,13H,2-9,11H2,1H3,(H,17,21)/t13-/m0/s1
InChIKeyOXJOSUYZBYLQAU-ZDUSSCGKSA-N
XLogP1.78
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47028354
5-methyl-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 17173829
N-[1-(cyclooctylmethylcarbamoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71883290
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104957455
N-(4-aminocyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119477538
[(4aR,8aR)-4a-hydroxy-7-(pyrrolidine-1-carbonyl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 72882532
7-methyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-2,3-dihydro-1H-indene-4-carboxamide
CID 128582261
trans-(1R,2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161364
5-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 91817778
N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 118766414
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 108563814
5-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 47800468

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3S)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(3S)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-1,2-oxazole-3-carboxamide (CID 96576211) is 5-methyl-N-[(3S)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(3S)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(3S)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@H]2CCCCN(C(=O)N3CCCC3)C2)no1.
What is the InChIKey of 5-methyl-N-[(3S)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is OXJOSUYZBYLQAU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-12-10-14(18-23-12)15(21)17-13-6-2-3-9-20(11-13)16(22)19-7-4-5-8-19/h10,13H,2-9,11H2,1H3,(H,17,21)/t13-/m0/s1.
What are the key properties of 5-methyl-N-[(3S)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[(3S)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3S)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 96576211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).