N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C16H13ClN2O3 — CID 3346299

IUPACN-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O3/c17-12-7-5-11(6-8-12)9-18-15(20)10-19-13-3-1-2-4-14(13)22-16(19)21/h1-8H,9-10H2,(H,18,20)
InChIKeyNQQRCBYEWRWNLQ-UHFFFAOYSA-N
MW316.74 g/mol
LogP2.56
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 3346299) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID3346299
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O3/c17-12-7-5-11(6-8-12)9-18-15(20)10-19-13-3-1-2-4-14(13)22-16(19)21/h1-8H,9-10H2,(H,18,20)
InChIKeyNQQRCBYEWRWNLQ-UHFFFAOYSA-N
XLogP2.56
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]benzamide
CID 134039189
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55748229
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 131927904
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 110004268
N-[(3-aminophenyl)methyl]-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 86581111
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 8986901
2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 62676565
N-[[3-(methylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 38972126
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502441
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 131905602
N-[(4-cyanophenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 52571612

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 3346299) is N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is O=C(Cn1c(=O)oc2ccccc21)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is NQQRCBYEWRWNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c17-12-7-5-11(6-8-12)9-18-15(20)10-19-13-3-1-2-4-14(13)22-16(19)21/h1-8H,9-10H2,(H,18,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 316.74 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 3346299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).