(4aR,6S,8aR)-4-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide

C19H24N4O4 — CID 156586319

IUPAC(4aR,6S,8aR)-4-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide
SMILESNC(=O)[C@H]1CC[C@H]2OCCN(C(=O)c3cccc(N4CCNC4=O)c3)[C@@H]2C1
InChIInChI=1S/C19H24N4O4/c20-17(24)12-4-5-16-15(11-12)23(8-9-27-16)18(25)13-2-1-3-14(10-13)22-7-6-21-19(22)26/h1-3,10,12,15-16H,4-9,11H2,(H2,20,24)(H,21,26)/t12-,15+,16+/m0/s1
InChIKeyQOQWAAZUCPBXSI-APHBMKBZSA-N
MW372.43 g/mol
LogP0.71
Rot. Bonds3

About (4aR,6S,8aR)-4-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide

(4aR,6S,8aR)-4-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide (PubChem CID 156586319) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is (4aR,6S,8aR)-4-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide.

Molecular Properties

Compound Name(4aR,6S,8aR)-4-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide
PubChem CID156586319
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name(4aR,6S,8aR)-4-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide
SMILESNC(=O)[C@H]1CC[C@H]2OCCN(C(=O)c3cccc(N4CCNC4=O)c3)[C@@H]2C1
InChIInChI=1S/C19H24N4O4/c20-17(24)12-4-5-16-15(11-12)23(8-9-27-16)18(25)13-2-1-3-14(10-13)22-7-6-21-19(22)26/h1-3,10,12,15-16H,4-9,11H2,(H2,20,24)(H,21,26)/t12-,15+,16+/m0/s1
InChIKeyQOQWAAZUCPBXSI-APHBMKBZSA-N
XLogP0.71
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4aR,6S,8aR)-4-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide with MolForge

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Related Compounds

1-[3-(3-methylmorpholine-4-carbonyl)phenyl]imidazolidin-2-one
CID 51087000
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(3-aminophenyl)methanone
CID 54906161
1-[3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 94823950
1-[3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 94823949
1-[3-[(2R)-2-(4-bromophenyl)morpholine-4-carbonyl]phenyl]imidazolidin-2-one
CID 97077495
(4aR,6S,8aR)-4-(2-methyl-4-phenylpyridine-3-carbonyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide
CID 156583729
[(4aR,6S,8aR)-4-(pyrazolo[1,5-a]pyridine-5-carbonyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone
CID 156583777
1-[3-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl]-4-fluorophenyl]imidazolidin-2-one;hydrochloride
CID 120810556
2-[cyclobutyl-[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 146135248
1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 47047755
1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 55700209
1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one
CID 72844062

Frequently Asked Questions

What is the IUPAC name of (4aR,6S,8aR)-4-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide?
The IUPAC name of (4aR,6S,8aR)-4-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide (CID 156586319) is (4aR,6S,8aR)-4-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide.
What is the SMILES notation for (4aR,6S,8aR)-4-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide?
The canonical SMILES for (4aR,6S,8aR)-4-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide is NC(=O)[C@H]1CC[C@H]2OCCN(C(=O)c3cccc(N4CCNC4=O)c3)[C@@H]2C1.
What is the InChIKey of (4aR,6S,8aR)-4-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide?
The InChIKey is QOQWAAZUCPBXSI-APHBMKBZSA-N. The full InChI is InChI=1S/C19H24N4O4/c20-17(24)12-4-5-16-15(11-12)23(8-9-27-16)18(25)13-2-1-3-14(10-13)22-7-6-21-19(22)26/h1-3,10,12,15-16H,4-9,11H2,(H2,20,24)(H,21,26)/t12-,15+,16+/m0/s1.
What are the key properties of (4aR,6S,8aR)-4-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide?
(4aR,6S,8aR)-4-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6S,8aR)-4-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide is sourced from PubChem (CID 156586319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).