N-(3-chloro-4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide

C18H17ClN2O3 — CID 110390658

IUPACN-(3-chloro-4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc3oc(C)nc3c2)cc1Cl
InChIInChI=1S/C18H17ClN2O3/c1-11-20-15-9-12(3-6-17(15)24-11)4-8-18(22)21-13-5-7-16(23-2)14(19)10-13/h3,5-7,9-10H,4,8H2,1-2H3,(H,21,22)
InChIKeyCDXOJRJVOGWVEK-UHFFFAOYSA-N
MW344.80 g/mol
LogP4.37
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide

N-(3-chloro-4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 110390658) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
PubChem CID110390658
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc3oc(C)nc3c2)cc1Cl
InChIInChI=1S/C18H17ClN2O3/c1-11-20-15-9-12(3-6-17(15)24-11)4-8-18(22)21-13-5-7-16(23-2)14(19)10-13/h3,5-7,9-10H,4,8H2,1-2H3,(H,21,22)
InChIKeyCDXOJRJVOGWVEK-UHFFFAOYSA-N
XLogP4.37
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide
CID 110390639
N-(2-methoxy-5-methylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390666
N-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390669
N-(3-bromophenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390691
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
3-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 60572554
2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 34303569
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390584
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 110773873
3-[4-[3-(3-chloro-4-methoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252525
N-(3-chloro-4-methoxyphenyl)-3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide
CID 53131328
N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390561

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide (CID 110390658) is N-(3-chloro-4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide is COc1ccc(NC(=O)CCc2ccc3oc(C)nc3c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is CDXOJRJVOGWVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-11-20-15-9-12(3-6-17(15)24-11)4-8-18(22)21-13-5-7-16(23-2)14(19)10-13/h3,5-7,9-10H,4,8H2,1-2H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
N-(3-chloro-4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 344.80 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 110390658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).