3-(4-methoxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H17N3O5 — CID 171133441

IUPAC3-(4-methoxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)Nc3ccc4c(c3)OCC(=O)N4)C2)cc1
InChIInChI=1S/C19H17N3O5/c1-25-13-5-2-11(3-6-13)15-9-17(27-22-15)19(24)20-12-4-7-14-16(8-12)26-10-18(23)21-14/h2-8,17H,9-10H2,1H3,(H,20,24)(H,21,23)
InChIKeyLUKVZQKVMUWRDS-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.16
Rot. Bonds4

About 3-(4-methoxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(4-methoxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 171133441) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID171133441
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name3-(4-methoxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)Nc3ccc4c(c3)OCC(=O)N4)C2)cc1
InChIInChI=1S/C19H17N3O5/c1-25-13-5-2-11(3-6-13)15-9-17(27-22-15)19(24)20-12-4-7-14-16(8-12)26-10-18(23)21-14/h2-8,17H,9-10H2,1H3,(H,20,24)(H,21,23)
InChIKeyLUKVZQKVMUWRDS-UHFFFAOYSA-N
XLogP2.16
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-N-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503534
(5R)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503725
(5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503549
N-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491428
3-(4-methoxyphenyl)-N-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491496
(5R)-N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29089716
N-(4-cyanophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 6619745
(5S)-N-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503947
(5S)-N-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503706
N-(2-hydroxy-5-methylphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095632
(5S)-N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503703
(5R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7645639

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 171133441) is 3-(4-methoxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(C2=NOC(C(=O)Nc3ccc4c(c3)OCC(=O)N4)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is LUKVZQKVMUWRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-25-13-5-2-11(3-6-13)15-9-17(27-22-15)19(24)20-12-4-7-14-16(8-12)26-10-18(23)21-14/h2-8,17H,9-10H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 3-(4-methoxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-methoxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 367.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 171133441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).