N-[(2-chlorophenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide

C17H15ClN2O3 — CID 110390399

IUPACN-[(2-chlorophenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
SMILESO=C(CCc1ccc2oc(=O)[nH]c2c1)NCc1ccccc1Cl
InChIInChI=1S/C17H15ClN2O3/c18-13-4-2-1-3-12(13)10-19-16(21)8-6-11-5-7-15-14(9-11)20-17(22)23-15/h1-5,7,9H,6,8,10H2,(H,19,21)(H,20,22)
InChIKeyISZKBNQWFNXENX-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.02
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide

N-[(2-chlorophenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide (PubChem CID 110390399) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
PubChem CID110390399
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
SMILESO=C(CCc1ccc2oc(=O)[nH]c2c1)NCc1ccccc1Cl
InChIInChI=1S/C17H15ClN2O3/c18-13-4-2-1-3-12(13)10-19-16(21)8-6-11-5-7-15-14(9-11)20-17(22)23-15/h1-5,7,9H,6,8,10H2,(H,19,21)(H,20,22)
InChIKeyISZKBNQWFNXENX-UHFFFAOYSA-N
XLogP3.02
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110390405
3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide
CID 110786774
N-[(3-methylphenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390393
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide
CID 110390366
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773952
N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-2-phenylacetamide
CID 110786737
2-(2-fluorophenyl)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110665351
3-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115162652
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)methylamino]butanoic acid
CID 82501414
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide
CID 110678767
3-(3-bromophenyl)-N-[(2-chlorophenyl)methyl]propanamide
CID 43011216
3-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide
CID 115176424

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide (CID 110390399) is N-[(2-chlorophenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide is O=C(CCc1ccc2oc(=O)[nH]c2c1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is ISZKBNQWFNXENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c18-13-4-2-1-3-12(13)10-19-16(21)8-6-11-5-7-15-14(9-11)20-17(22)23-15/h1-5,7,9H,6,8,10H2,(H,19,21)(H,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
N-[(2-chlorophenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 330.77 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 110390399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).