N-[[2-chloro-5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]methyl]acetamide

C16H15ClN2O3 — CID 21057633

IUPACN-[[2-chloro-5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1cc(C(=O)c2cnoc2C2CC2)ccc1Cl
InChIInChI=1S/C16H15ClN2O3/c1-9(20)18-7-12-6-11(4-5-14(12)17)15(21)13-8-19-22-16(13)10-2-3-10/h4-6,8,10H,2-3,7H2,1H3,(H,18,20)
InChIKeyPGDBQVPVBRWNGU-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.07
Rot. Bonds5

About N-[[2-chloro-5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]methyl]acetamide

N-[[2-chloro-5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]methyl]acetamide (PubChem CID 21057633) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is N-[[2-chloro-5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-chloro-5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]methyl]acetamide
PubChem CID21057633
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC NameN-[[2-chloro-5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1cc(C(=O)c2cnoc2C2CC2)ccc1Cl
InChIInChI=1S/C16H15ClN2O3/c1-9(20)18-7-12-6-11(4-5-14(12)17)15(21)13-8-19-22-16(13)10-2-3-10/h4-6,8,10H,2-3,7H2,1H3,(H,18,20)
InChIKeyPGDBQVPVBRWNGU-UHFFFAOYSA-N
XLogP3.07
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-acetyl-2-chlorophenyl)methyl]acetamide
CID 11858678
(5-cyclopropyl-1,2-oxazol-4-yl)-(4-methyl-3-methylsulfanylphenyl)methanone
CID 18977973
N-(4-chloro-3-methylphenyl)-5-cyclopropyl-1,2-oxazole-4-carboxamide
CID 22418148
(5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone
CID 19367622
methyl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-propylcarbamate
CID 22621148
[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-methoxycarbonylphenyl]methanesulfinic acid
CID 174312687
[4-chloro-3-methylsulfonyl-2-(trifluoromethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 54128440
[2-[(3-chlorophenyl)methyl]-4-methylsulfinylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 54386377
4-chloro-N-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]-2,5-difluorobenzamide
CID 167927226
(5-cyclopropyl-1,2-oxazol-4-yl)-(4-methoxy-3-methylsulfonylphenyl)methanone
CID 22072925
5-cyclopropyl-1,2-oxazole-4-carbonyl chloride
CID 14819893
[2-[(4-chlorophenyl)methyl]-4-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 67718573

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]methyl]acetamide?
The IUPAC name of N-[[2-chloro-5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]methyl]acetamide (CID 21057633) is N-[[2-chloro-5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[2-chloro-5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[2-chloro-5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]methyl]acetamide is CC(=O)NCc1cc(C(=O)c2cnoc2C2CC2)ccc1Cl.
What is the InChIKey of N-[[2-chloro-5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]methyl]acetamide?
The InChIKey is PGDBQVPVBRWNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-9(20)18-7-12-6-11(4-5-14(12)17)15(21)13-8-19-22-16(13)10-2-3-10/h4-6,8,10H,2-3,7H2,1H3,(H,18,20).
What are the key properties of N-[[2-chloro-5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]methyl]acetamide?
N-[[2-chloro-5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]methyl]acetamide has a molecular weight of 318.76 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]methyl]acetamide is sourced from PubChem (CID 21057633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).