N-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide

C15H18ClN3O2 — CID 119499058

IUPACN-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide
SMILESCC(N)CCNC(=O)Cc1coc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H18ClN3O2/c1-10(17)6-7-18-14(20)8-13-9-21-15(19-13)11-2-4-12(16)5-3-11/h2-5,9-10H,6-8,17H2,1H3,(H,18,20)
InChIKeyOWXXBOWEWLLRTR-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.39
Rot. Bonds6

About N-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide

N-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide (PubChem CID 119499058) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide
PubChem CID119499058
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide
SMILESCC(N)CCNC(=O)Cc1coc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H18ClN3O2/c1-10(17)6-7-18-14(20)8-13-9-21-15(19-13)11-2-4-12(16)5-3-11/h2-5,9-10H,6-8,17H2,1H3,(H,18,20)
InChIKeyOWXXBOWEWLLRTR-UHFFFAOYSA-N
XLogP2.39
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 84588911
2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide
CID 39436445
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111460664
2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 119212020
tert-butyl N-[1-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylbutan-2-yl]carbamate
CID 86956636
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 109388558
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 56826461
(2S)-2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylamino]propanoic acid
CID 83193093
N-[2-(2-fluorophenyl)ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39441204
N-(3-amino-2-methylpropyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride
CID 119998364
2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-(2-methylpropyl)amino]acetic acid
CID 119193245
N-(3-aminobutyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 119495720

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide (CID 119499058) is N-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide is CC(N)CCNC(=O)Cc1coc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide?
The InChIKey is OWXXBOWEWLLRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-10(17)6-7-18-14(20)8-13-9-21-15(19-13)11-2-4-12(16)5-3-11/h2-5,9-10H,6-8,17H2,1H3,(H,18,20).
What are the key properties of N-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide?
N-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide has a molecular weight of 307.78 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 119499058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).