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

C14H18N4O2 — CID 154789822

IUPACN-(5-ethyl-1,3-oxazol-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide
SMILESCCc1cnc(NC(=O)c2cnc3n2CCCCC3)o1
InChIInChI=1S/C14H18N4O2/c1-2-10-8-16-14(20-10)17-13(19)11-9-15-12-6-4-3-5-7-18(11)12/h8-9H,2-7H2,1H3,(H,16,17,19)
InChIKeyLOEUSUDHUASKIN-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.41
Rot. Bonds3

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

N-(5-ethyl-1,3-oxazol-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide (PubChem CID 154789822) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(5-ethyl-1,3-oxazol-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3-oxazol-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide
PubChem CID154789822
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(5-ethyl-1,3-oxazol-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide
SMILESCCc1cnc(NC(=O)c2cnc3n2CCCCC3)o1
InChIInChI=1S/C14H18N4O2/c1-2-10-8-16-14(20-10)17-13(19)11-9-15-12-6-4-3-5-7-18(11)12/h8-9H,2-7H2,1H3,(H,16,17,19)
InChIKeyLOEUSUDHUASKIN-UHFFFAOYSA-N
XLogP2.41
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-ethyl-1,3-oxazol-2-yl)-5,6,7,8-tetrahydroquinoxaline-2-carboxamide
CID 166260737
6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylic acid;hydrochloride
CID 126796932
3-[3,5-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)pyrazol-1-yl]propanoic acid
CID 154743110
N-(2-pyrrolidin-1-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 71844938
N-[4-(1,2-oxazol-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide
CID 136566754
1-ethyl-3-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrazole-5-carboxamide
CID 56719490
N-[[4-(methoxymethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 136517116
2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)phenoxy]acetic acid
CID 136574677
(2S)-4-methylsulfanyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)butanoic acid
CID 154868429
2-(ethylamino)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxamide
CID 56760264
N-(4-chloro-5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 136567294
N-(6-chloro-1,8-naphthyridin-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 167817917

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3-oxazol-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide?
The IUPAC name of N-(5-ethyl-1,3-oxazol-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide (CID 154789822) is N-(5-ethyl-1,3-oxazol-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3-oxazol-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3-oxazol-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide is CCc1cnc(NC(=O)c2cnc3n2CCCCC3)o1.
What is the InChIKey of N-(5-ethyl-1,3-oxazol-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide?
The InChIKey is LOEUSUDHUASKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-10-8-16-14(20-10)17-13(19)11-9-15-12-6-4-3-5-7-18(11)12/h8-9H,2-7H2,1H3,(H,16,17,19).
What are the key properties of N-(5-ethyl-1,3-oxazol-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide?
N-(5-ethyl-1,3-oxazol-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3-oxazol-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide is sourced from PubChem (CID 154789822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).