2-(1-amino-3-methylbutyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide

C17H22ClN3O2 — CID 3512849

IUPAC2-(1-amino-3-methylbutyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)CC(N)c1nc(C(=O)NCCc2ccccc2Cl)co1
InChIInChI=1S/C17H22ClN3O2/c1-11(2)9-14(19)17-21-15(10-23-17)16(22)20-8-7-12-5-3-4-6-13(12)18/h3-6,10-11,14H,7-9,19H2,1-2H3,(H,20,22)
InChIKeyRXDVSBLOFKFATA-UHFFFAOYSA-N
MW335.84 g/mol
LogP3.35
Rot. Bonds7

About 2-(1-amino-3-methylbutyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide

2-(1-amino-3-methylbutyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 3512849) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 2-(1-amino-3-methylbutyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-3-methylbutyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID3512849
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name2-(1-amino-3-methylbutyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)CC(N)c1nc(C(=O)NCCc2ccccc2Cl)co1
InChIInChI=1S/C17H22ClN3O2/c1-11(2)9-14(19)17-21-15(10-23-17)16(22)20-8-7-12-5-3-4-6-13(12)18/h3-6,10-11,14H,7-9,19H2,1-2H3,(H,20,22)
InChIKeyRXDVSBLOFKFATA-UHFFFAOYSA-N
XLogP3.35
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-amino-2-methylpropyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3828610
2-(1-amino-3-methylbutyl)-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 3866540
2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide
CID 3865890
2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3829499
2-(1-amino-3-methylbutyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
CID 3821910
2-(1-amino-3-methylbutyl)-N-decyl-1,3-oxazole-4-carboxamide
CID 3866536
2-(1-amino-3-methylbutyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 3435152
(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684847
2-(1-amino-3-methylbutyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3791845
2-(1-amino-3-methylbutyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 3585647
benzyl 2-[[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoate
CID 3798249
2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 3798183

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylbutyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-3-methylbutyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide (CID 3512849) is 2-(1-amino-3-methylbutyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-3-methylbutyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-3-methylbutyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide is CC(C)CC(N)c1nc(C(=O)NCCc2ccccc2Cl)co1.
What is the InChIKey of 2-(1-amino-3-methylbutyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is RXDVSBLOFKFATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-11(2)9-14(19)17-21-15(10-23-17)16(22)20-8-7-12-5-3-4-6-13(12)18/h3-6,10-11,14H,7-9,19H2,1-2H3,(H,20,22).
What are the key properties of 2-(1-amino-3-methylbutyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide?
2-(1-amino-3-methylbutyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 335.84 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylbutyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3512849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).