N-(2-amino-1-cyclopropylethyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide

C15H16ClN3O2 — CID 119616138

IUPACN-(2-amino-1-cyclopropylethyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESNCC(NC(=O)c1cc(-c2ccc(Cl)cc2)on1)C1CC1
InChIInChI=1S/C15H16ClN3O2/c16-11-5-3-10(4-6-11)14-7-12(19-21-14)15(20)18-13(8-17)9-1-2-9/h3-7,9,13H,1-2,8,17H2,(H,18,20)
InChIKeyNGTQDMXRTAKYGU-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.46
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide

N-(2-amino-1-cyclopropylethyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 119616138) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID119616138
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC NameN-(2-amino-1-cyclopropylethyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESNCC(NC(=O)c1cc(-c2ccc(Cl)cc2)on1)C1CC1
InChIInChI=1S/C15H16ClN3O2/c16-11-5-3-10(4-6-11)14-7-12(19-21-14)15(20)18-13(8-17)9-1-2-9/h3-7,9,13H,1-2,8,17H2,(H,18,20)
InChIKeyNGTQDMXRTAKYGU-UHFFFAOYSA-N
XLogP2.46
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide (CID 119616138) is N-(2-amino-1-cyclopropylethyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide is NCC(NC(=O)c1cc(-c2ccc(Cl)cc2)on1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NGTQDMXRTAKYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-11-5-3-10(4-6-11)14-7-12(19-21-14)15(20)18-13(8-17)9-1-2-9/h3-7,9,13H,1-2,8,17H2,(H,18,20).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
N-(2-amino-1-cyclopropylethyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 305.76 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 119616138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).