N-(3-chloro-4-methoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

C18H17ClN2O4 — CID 2443449

IUPACN-(3-chloro-4-methoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCn2c(=O)oc3ccccc32)cc1Cl
InChIInChI=1S/C18H17ClN2O4/c1-24-15-9-8-12(11-13(15)19)20-17(22)7-4-10-21-14-5-2-3-6-16(14)25-18(21)23/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,20,22)
InChIKeyQARCIGORWJYHMY-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.68
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

N-(3-chloro-4-methoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 2443449) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID2443449
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCn2c(=O)oc3ccccc32)cc1Cl
InChIInChI=1S/C18H17ClN2O4/c1-24-15-9-8-12(11-13(15)19)20-17(22)7-4-10-21-14-5-2-3-6-16(14)25-18(21)23/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,20,22)
InChIKeyQARCIGORWJYHMY-UHFFFAOYSA-N
XLogP3.68
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 2443449) is N-(3-chloro-4-methoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is COc1ccc(NC(=O)CCCn2c(=O)oc3ccccc32)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is QARCIGORWJYHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c1-24-15-9-8-12(11-13(15)19)20-17(22)7-4-10-21-14-5-2-3-6-16(14)25-18(21)23/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,20,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-(3-chloro-4-methoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 360.80 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 2443449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).