N-[(1-aminocyclobutyl)methyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide

C15H16ClN3O2 — CID 155820442

IUPACN-[(1-aminocyclobutyl)methyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESNC1(CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)CCC1
InChIInChI=1S/C15H16ClN3O2/c16-11-4-2-10(3-5-11)13-8-12(19-21-13)14(20)18-9-15(17)6-1-7-15/h2-5,8H,1,6-7,9,17H2,(H,18,20)
InChIKeyNDJVJGFKIDJLSP-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.61
Rot. Bonds4

About N-[(1-aminocyclobutyl)methyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide

N-[(1-aminocyclobutyl)methyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 155820442) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is N-[(1-aminocyclobutyl)methyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-aminocyclobutyl)methyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID155820442
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC NameN-[(1-aminocyclobutyl)methyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESNC1(CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)CCC1
InChIInChI=1S/C15H16ClN3O2/c16-11-4-2-10(3-5-11)13-8-12(19-21-13)14(20)18-9-15(17)6-1-7-15/h2-5,8H,1,6-7,9,17H2,(H,18,20)
InChIKeyNDJVJGFKIDJLSP-UHFFFAOYSA-N
XLogP2.61
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119629061
5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 119507911
5-(4-chlorophenyl)-N-[(3-hydroxy-1-prop-2-enoylazetidin-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 167794774
N-[(4-hydroxythian-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 111486579
5-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 119513121
N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119498092
5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3241430
5-(4-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide
CID 17252724
1-[[(5-phenyl-1,2-oxazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544037
N-[3-(aminomethyl)pentan-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119570935
5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 39866064
5-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119447808

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclobutyl)methyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1-aminocyclobutyl)methyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide (CID 155820442) is N-[(1-aminocyclobutyl)methyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1-aminocyclobutyl)methyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1-aminocyclobutyl)methyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide is NC1(CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)CCC1.
What is the InChIKey of N-[(1-aminocyclobutyl)methyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NDJVJGFKIDJLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-11-4-2-10(3-5-11)13-8-12(19-21-13)14(20)18-9-15(17)6-1-7-15/h2-5,8H,1,6-7,9,17H2,(H,18,20).
What are the key properties of N-[(1-aminocyclobutyl)methyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
N-[(1-aminocyclobutyl)methyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 305.76 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclobutyl)methyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155820442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).