(6S)-6-(4-methoxyphenyl)-N-[(2S)-2-phenylpropyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide

C23H25N3O3 — CID 125126799

IUPAC(6S)-6-(4-methoxyphenyl)-N-[(2S)-2-phenylpropyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
SMILESCOc1ccc([C@H]2Cn3cnc(C(=O)NC[C@@H](C)c4ccccc4)c3CO2)cc1
InChIInChI=1S/C23H25N3O3/c1-16(17-6-4-3-5-7-17)12-24-23(27)22-20-14-29-21(13-26(20)15-25-22)18-8-10-19(28-2)11-9-18/h3-11,15-16,21H,12-14H2,1-2H3,(H,24,27)/t16-,21-/m1/s1
InChIKeyIQKRVLRKAODTNF-IIBYNOLFSA-N
MW391.47 g/mol
LogP3.70
Rot. Bonds6

About (6S)-6-(4-methoxyphenyl)-N-[(2S)-2-phenylpropyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide

(6S)-6-(4-methoxyphenyl)-N-[(2S)-2-phenylpropyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (PubChem CID 125126799) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (6S)-6-(4-methoxyphenyl)-N-[(2S)-2-phenylpropyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.

Molecular Properties

Compound Name(6S)-6-(4-methoxyphenyl)-N-[(2S)-2-phenylpropyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
PubChem CID125126799
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(6S)-6-(4-methoxyphenyl)-N-[(2S)-2-phenylpropyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
SMILESCOc1ccc([C@H]2Cn3cnc(C(=O)NC[C@@H](C)c4ccccc4)c3CO2)cc1
InChIInChI=1S/C23H25N3O3/c1-16(17-6-4-3-5-7-17)12-24-23(27)22-20-14-29-21(13-26(20)15-25-22)18-8-10-19(28-2)11-9-18/h3-11,15-16,21H,12-14H2,1-2H3,(H,24,27)/t16-,21-/m1/s1
InChIKeyIQKRVLRKAODTNF-IIBYNOLFSA-N
XLogP3.70
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-N-[(1S)-1-(4-methoxyphenyl)propyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125127257
(6R)-N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125125789
N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 91894320
(6R)-N-[(3-ethoxyphenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125127981
6-(4-methoxyphenyl)-N-(2-methylpropyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91893815
(4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone
CID 91894330
[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]-piperidin-1-ylmethanone
CID 91894328
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanone
CID 125126558
(6S)-N-[(2-bromophenyl)methyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125126419
(6S)-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125126839
1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 99744606
(6S)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125128651

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-methoxyphenyl)-N-[(2S)-2-phenylpropyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The IUPAC name of (6S)-6-(4-methoxyphenyl)-N-[(2S)-2-phenylpropyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (CID 125126799) is (6S)-6-(4-methoxyphenyl)-N-[(2S)-2-phenylpropyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.
What is the SMILES notation for (6S)-6-(4-methoxyphenyl)-N-[(2S)-2-phenylpropyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The canonical SMILES for (6S)-6-(4-methoxyphenyl)-N-[(2S)-2-phenylpropyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is COc1ccc([C@H]2Cn3cnc(C(=O)NC[C@@H](C)c4ccccc4)c3CO2)cc1.
What is the InChIKey of (6S)-6-(4-methoxyphenyl)-N-[(2S)-2-phenylpropyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The InChIKey is IQKRVLRKAODTNF-IIBYNOLFSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16(17-6-4-3-5-7-17)12-24-23(27)22-20-14-29-21(13-26(20)15-25-22)18-8-10-19(28-2)11-9-18/h3-11,15-16,21H,12-14H2,1-2H3,(H,24,27)/t16-,21-/m1/s1.
What are the key properties of (6S)-6-(4-methoxyphenyl)-N-[(2S)-2-phenylpropyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
(6S)-6-(4-methoxyphenyl)-N-[(2S)-2-phenylpropyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(4-methoxyphenyl)-N-[(2S)-2-phenylpropyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is sourced from PubChem (CID 125126799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).