N-[5-(butanoylamino)-2-chlorophenyl]-3-methyl-1,2-oxazole-5-carboxamide

C15H16ClN3O3 — CID 43911420

IUPACN-[5-(butanoylamino)-2-chlorophenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(C)no2)c1
InChIInChI=1S/C15H16ClN3O3/c1-3-4-14(20)17-10-5-6-11(16)12(8-10)18-15(21)13-7-9(2)19-22-13/h5-8H,3-4H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyOCMLOEVASZQDKP-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.63
Rot. Bonds5

About N-[5-(butanoylamino)-2-chlorophenyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[5-(butanoylamino)-2-chlorophenyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 43911420) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is N-[5-(butanoylamino)-2-chlorophenyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(butanoylamino)-2-chlorophenyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID43911420
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC NameN-[5-(butanoylamino)-2-chlorophenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(C)no2)c1
InChIInChI=1S/C15H16ClN3O3/c1-3-4-14(20)17-10-5-6-11(16)12(8-10)18-15(21)13-7-9(2)19-22-13/h5-8H,3-4H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyOCMLOEVASZQDKP-UHFFFAOYSA-N
XLogP3.63
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391
N-[5-(butanoylamino)-2-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 131943646
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 62915057
N-(4-chloro-3-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 99842279
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54809248
N-[5-(butanoylamino)-2-chlorophenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 2236520
N-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54829100
N-[4-chloro-3-[[2-(prop-2-enylamino)acetyl]amino]phenyl]butanamide
CID 54818293
N-[5-(butanoylamino)-2-chlorophenyl]-2-methoxybenzamide
CID 960096
4-[5-(butanoylamino)-2-chloroanilino]-4-oxobut-2-enoic acid
CID 53407462
N-[4-chloro-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 112827932
N-[4-chloro-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]butanamide
CID 54830975

Frequently Asked Questions

What is the IUPAC name of N-[5-(butanoylamino)-2-chlorophenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[5-(butanoylamino)-2-chlorophenyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 43911420) is N-[5-(butanoylamino)-2-chlorophenyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[5-(butanoylamino)-2-chlorophenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[5-(butanoylamino)-2-chlorophenyl]-3-methyl-1,2-oxazole-5-carboxamide is CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(C)no2)c1.
What is the InChIKey of N-[5-(butanoylamino)-2-chlorophenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is OCMLOEVASZQDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-3-4-14(20)17-10-5-6-11(16)12(8-10)18-15(21)13-7-9(2)19-22-13/h5-8H,3-4H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[5-(butanoylamino)-2-chlorophenyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[5-(butanoylamino)-2-chlorophenyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 321.76 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butanoylamino)-2-chlorophenyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43911420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).