3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide

C18H21N3O4 — CID 71897538

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NC(C)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C18H21N3O4/c1-10(13-4-6-16-15(8-13)20-18(23)9-24-16)19-17(22)7-5-14-11(2)21-25-12(14)3/h4,6,8,10H,5,7,9H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyKENFJKPJPWJQTA-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.43
Rot. Bonds5

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide (PubChem CID 71897538) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
PubChem CID71897538
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NC(C)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C18H21N3O4/c1-10(13-4-6-16-15(8-13)20-18(23)9-24-16)19-17(22)7-5-14-11(2)21-25-12(14)3/h4,6,8,10H,5,7,9H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyKENFJKPJPWJQTA-UHFFFAOYSA-N
XLogP2.43
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide with MolForge

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Related Compounds

4-[3-oxo-3-[[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]amino]propyl]benzoic acid
CID 125150963
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3-(methanesulfonamido)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
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3-amino-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]butanamide;hydrochloride
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2-(2-methylphenyl)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 38958990
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CID 94022978
5-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]pentanamide
CID 103529812
N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2-thiophen-2-ylacetamide
CID 38960523
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]urea
CID 94163839
1-methyl-1-(4-methylpentan-2-yl)-3-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]urea
CID 71892905
N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]prop-2-enamide
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3-(4-morpholin-4-ylsulfonylphenyl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide (CID 71897538) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide is Cc1noc(C)c1CCC(=O)NC(C)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide?
The InChIKey is KENFJKPJPWJQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-10(13-4-6-16-15(8-13)20-18(23)9-24-16)19-17(22)7-5-14-11(2)21-25-12(14)3/h4,6,8,10H,5,7,9H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide has a molecular weight of 343.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide is sourced from PubChem (CID 71897538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).