N-(azepan-4-yl)-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide

C18H23N3O2 — CID 154841992

IUPACN-(azepan-4-yl)-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N(C)C1CCCNCC1
InChIInChI=1S/C18H23N3O2/c1-13-16(17(20-23-13)14-7-4-3-5-8-14)18(22)21(2)15-9-6-11-19-12-10-15/h3-5,7-8,15,19H,6,9-12H2,1-2H3
InChIKeyZLOLDQWAELUUHU-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.86
Rot. Bonds3

About N-(azepan-4-yl)-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide

N-(azepan-4-yl)-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 154841992) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(azepan-4-yl)-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID154841992
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(azepan-4-yl)-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N(C)C1CCCNCC1
InChIInChI=1S/C18H23N3O2/c1-13-16(17(20-23-13)14-7-4-3-5-8-14)18(22)21(2)15-9-6-11-19-12-10-15/h3-5,7-8,15,19H,6,9-12H2,1-2H3
InChIKeyZLOLDQWAELUUHU-UHFFFAOYSA-N
XLogP2.86
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide
CID 119427087
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 135101331
5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide
CID 4525526
N-(azepan-4-yl)-N,2-dimethyl-6-nitrobenzamide
CID 107172581
N,3,5-trimethyl-N-pyrrolidin-3-yl-1,2-oxazole-4-carboxamide
CID 63297742
N-(azepan-4-yl)-2-chloro-N-methylbenzamide
CID 104974708
5-methyl-3-phenyl-N,N-bis(prop-2-enyl)-1,2-oxazole-4-carboxamide
CID 807635
1-cyclohexyl-1-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]urea
CID 22305721
N-(azepan-4-yl)-4-bromo-N-methylbenzamide
CID 104974446
N-(azepan-4-yl)-N,1-dimethylpyrrole-2-carboxamide
CID 104974495
3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 104974741
N-(azepan-4-yl)-2-fluoro-6-methoxy-N-methylbenzamide
CID 107172410

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(azepan-4-yl)-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 154841992) is N-(azepan-4-yl)-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(azepan-4-yl)-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(azepan-4-yl)-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)N(C)C1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is ZLOLDQWAELUUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-16(17(20-23-13)14-7-4-3-5-8-14)18(22)21(2)15-9-6-11-19-12-10-15/h3-5,7-8,15,19H,6,9-12H2,1-2H3.
What are the key properties of N-(azepan-4-yl)-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(azepan-4-yl)-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 154841992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).