N-(2-methoxyphenyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide

C17H16N2O4 — CID 110390488

IUPACN-(2-methoxyphenyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
SMILESCOc1ccccc1NC(=O)CCc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C17H16N2O4/c1-22-14-5-3-2-4-12(14)18-16(20)9-7-11-6-8-15-13(10-11)19-17(21)23-15/h2-6,8,10H,7,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyJPHIYENATMWSIZ-UHFFFAOYSA-N
MW312.32 g/mol
LogP2.70
Rot. Bonds5

About N-(2-methoxyphenyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide

N-(2-methoxyphenyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide (PubChem CID 110390488) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
PubChem CID110390488
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC NameN-(2-methoxyphenyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
SMILESCOc1ccccc1NC(=O)CCc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C17H16N2O4/c1-22-14-5-3-2-4-12(14)18-16(20)9-7-11-6-8-15-13(10-11)19-17(21)23-15/h2-6,8,10H,7,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyJPHIYENATMWSIZ-UHFFFAOYSA-N
XLogP2.70
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110683459
N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774032
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide
CID 110678767
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide
CID 110390366
3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide
CID 28713140
3-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)propanamide
CID 18124058
N-(2-chlorophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774027
N-(2-bromophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774064
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 110390501
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 110678766
N-(2-ethoxyphenyl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 100573859

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of N-(2-methoxyphenyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide (CID 110390488) is N-(2-methoxyphenyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide is COc1ccccc1NC(=O)CCc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of N-(2-methoxyphenyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is JPHIYENATMWSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-22-14-5-3-2-4-12(14)18-16(20)9-7-11-6-8-15-13(10-11)19-17(21)23-15/h2-6,8,10H,7,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-methoxyphenyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
N-(2-methoxyphenyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 312.32 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 110390488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).