N-[4-(1,2-oxazol-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide

C18H18N4O2 — CID 136566754

IUPACN-[4-(1,2-oxazol-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccon2)cc1)c1cnc2n1CCCCC2
InChIInChI=1S/C18H18N4O2/c23-18(16-12-19-17-4-2-1-3-10-22(16)17)20-14-7-5-13(6-8-14)15-9-11-24-21-15/h5-9,11-12H,1-4,10H2,(H,20,23)
InChIKeyUUASNRJMJXMITP-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.52
Rot. Bonds3

About N-[4-(1,2-oxazol-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide

N-[4-(1,2-oxazol-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide (PubChem CID 136566754) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[4-(1,2-oxazol-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,2-oxazol-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide
PubChem CID136566754
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[4-(1,2-oxazol-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccon2)cc1)c1cnc2n1CCCCC2
InChIInChI=1S/C18H18N4O2/c23-18(16-12-19-17-4-2-1-3-10-22(16)17)20-14-7-5-13(6-8-14)15-9-11-24-21-15/h5-9,11-12H,1-4,10H2,(H,20,23)
InChIKeyUUASNRJMJXMITP-UHFFFAOYSA-N
XLogP3.52
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(1,2-oxazol-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide with MolForge

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Related Compounds

2-cyclopentyl-N-[4-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide
CID 136566757
N-(2-pyrrolidin-1-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 71844938
2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)phenoxy]acetic acid
CID 136574677
6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylic acid;hydrochloride
CID 126796932
[4-(1,2-oxazol-3-yl)phenyl]carbamic acid
CID 91035756
N-(5-ethyl-1,3-oxazol-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide
CID 154789822
N-[2-methyl-5-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide
CID 178113889
4-chloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide
CID 90557180
N-(6-chloro-1,8-naphthyridin-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 167817917
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide
CID 90557243
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,6-difluorobenzamide
CID 90557184
N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 47074777

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2-oxazol-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide?
The IUPAC name of N-[4-(1,2-oxazol-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide (CID 136566754) is N-[4-(1,2-oxazol-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide.
What is the SMILES notation for N-[4-(1,2-oxazol-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide?
The canonical SMILES for N-[4-(1,2-oxazol-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide is O=C(Nc1ccc(-c2ccon2)cc1)c1cnc2n1CCCCC2.
What is the InChIKey of N-[4-(1,2-oxazol-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide?
The InChIKey is UUASNRJMJXMITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-18(16-12-19-17-4-2-1-3-10-22(16)17)20-14-7-5-13(6-8-14)15-9-11-24-21-15/h5-9,11-12H,1-4,10H2,(H,20,23).
What are the key properties of N-[4-(1,2-oxazol-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide?
N-[4-(1,2-oxazol-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2-oxazol-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide is sourced from PubChem (CID 136566754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).