2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide

C15H18ClN3O2 — CID 3829499

IUPAC2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCCCC(N)c1nc(C(=O)NCc2ccccc2Cl)co1
InChIInChI=1S/C15H18ClN3O2/c1-2-5-12(17)15-19-13(9-21-15)14(20)18-8-10-6-3-4-7-11(10)16/h3-4,6-7,9,12H,2,5,8,17H2,1H3,(H,18,20)
InChIKeyDSQBMPFQXNVUHD-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.06
Rot. Bonds6

About 2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide

2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 3829499) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID3829499
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCCCC(N)c1nc(C(=O)NCc2ccccc2Cl)co1
InChIInChI=1S/C15H18ClN3O2/c1-2-5-12(17)15-19-13(9-21-15)14(20)18-8-10-6-3-4-7-11(10)16/h3-4,6-7,9,12H,2,5,8,17H2,1H3,(H,18,20)
InChIKeyDSQBMPFQXNVUHD-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminopropyl)-N-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3807008
2-(1-amino-3-methylbutyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3512849
2-(1-aminopropyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3813364
2-(1-aminobutyl)-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
CID 3795383
2-(1-amino-2-methylpropyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3828610
2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3832403
2-(1-aminobutyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide
CID 3866343
2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3796337
2-(1-amino-2-methylpropyl)-N-[(2-bromophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3836320
2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3665798
2-(1-amino-2-hydroxypropyl)-N-[(2-bromophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5018208
methyl 2-[[2-(1-aminobutyl)-1,3-oxazole-4-carbonyl]amino]-3-phenylpropanoate
CID 3541503

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide (CID 3829499) is 2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide is CCCC(N)c1nc(C(=O)NCc2ccccc2Cl)co1.
What is the InChIKey of 2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is DSQBMPFQXNVUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-2-5-12(17)15-19-13(9-21-15)14(20)18-8-10-6-3-4-7-11(10)16/h3-4,6-7,9,12H,2,5,8,17H2,1H3,(H,18,20).
What are the key properties of 2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide?
2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3829499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).