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

C23H25N3O4 — CID 125128987

IUPAC(6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2ncn3c2CO[C@@H](c2ccc(OC)cc2)C3)cc1
InChIInChI=1S/C23H25N3O4/c1-15(16-4-8-18(28-2)9-5-16)25-23(27)22-20-13-30-21(12-26(20)14-24-22)17-6-10-19(29-3)11-7-17/h4-11,14-15,21H,12-13H2,1-3H3,(H,25,27)/t15-,21-/m1/s1
InChIKeyYMGYIFLTFUKOPV-QVKFZJNVSA-N
MW407.47 g/mol
LogP3.66
Rot. Bonds6

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

(6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (PubChem CID 125128987) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is (6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.

Molecular Properties

Compound Name(6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
PubChem CID125128987
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name(6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2ncn3c2CO[C@@H](c2ccc(OC)cc2)C3)cc1
InChIInChI=1S/C23H25N3O4/c1-15(16-4-8-18(28-2)9-5-16)25-23(27)22-20-13-30-21(12-26(20)14-24-22)17-6-10-19(29-3)11-7-17/h4-11,14-15,21H,12-13H2,1-3H3,(H,25,27)/t15-,21-/m1/s1
InChIKeyYMGYIFLTFUKOPV-QVKFZJNVSA-N
XLogP3.66
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125126190
N-[1-(4-methoxyphenyl)ethyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 91894289
(6R)-N-[(1S)-1-(4-methoxyphenyl)propyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125127257
N-[(2-bromophenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 91894320
[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
(6R)-N-[(3-ethoxyphenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125127981
1-[(6R)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 99744304
6-(4-methoxyphenyl)-N-(2-methylpropyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91893815
6-(4-chlorophenyl)-N-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 122172511
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[(6R)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99748402
N-butyl-1-[(6S)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744584

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The IUPAC name of (6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (CID 125128987) is (6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.
What is the SMILES notation for (6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The canonical SMILES for (6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is COc1ccc([C@@H](C)NC(=O)c2ncn3c2CO[C@@H](c2ccc(OC)cc2)C3)cc1.
What is the InChIKey of (6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The InChIKey is YMGYIFLTFUKOPV-QVKFZJNVSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-15(16-4-8-18(28-2)9-5-16)25-23(27)22-20-13-30-21(12-26(20)14-24-22)17-6-10-19(29-3)11-7-17/h4-11,14-15,21H,12-13H2,1-3H3,(H,25,27)/t15-,21-/m1/s1.
What are the key properties of (6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
(6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is sourced from PubChem (CID 125128987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).