2-cyclopropyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-6-carboxamide

C16H15N3O2S — CID 25454808

IUPAC2-cyclopropyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCCc1cscn1)c1ccc2nc(C3CC3)oc2c1
InChIInChI=1S/C16H15N3O2S/c20-15(17-6-5-12-8-22-9-18-12)11-3-4-13-14(7-11)21-16(19-13)10-1-2-10/h3-4,7-10H,1-2,5-6H2,(H,17,20)
InChIKeyPABALQJXOVSDTE-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.13
Rot. Bonds5

About 2-cyclopropyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-6-carboxamide

2-cyclopropyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 25454808) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-6-carboxamide
PubChem CID25454808
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name2-cyclopropyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCCc1cscn1)c1ccc2nc(C3CC3)oc2c1
InChIInChI=1S/C16H15N3O2S/c20-15(17-6-5-12-8-22-9-18-12)11-3-4-13-14(7-11)21-16(19-13)10-1-2-10/h3-4,7-10H,1-2,5-6H2,(H,17,20)
InChIKeyPABALQJXOVSDTE-UHFFFAOYSA-N
XLogP3.13
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 42289150
2-cyclopropyl-N-(pyrimidin-4-ylmethyl)-1,3-benzoxazole-6-carboxamide
CID 26318348
3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284874
2-cyclopropyl-N-(2-imidazol-1-ylethyl)-1,3-benzoxazole-6-carboxamide
CID 25278720
4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103957000
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyclohexyl-1,3-benzoxazole-6-carboxamide
CID 42596394
2-[(4-chlorophenyl)methyl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 56701357
4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63831827
2-cyclohexyl-N-(3-pyrazol-1-ylpropyl)-1,3-benzoxazole-6-carboxamide
CID 25382694
3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110313136
4-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 95317070
2-cyclohexyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1,3-benzoxazole-6-carboxamide
CID 72859517

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-6-carboxamide (CID 25454808) is 2-cyclopropyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-6-carboxamide is O=C(NCCc1cscn1)c1ccc2nc(C3CC3)oc2c1.
What is the InChIKey of 2-cyclopropyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is PABALQJXOVSDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-15(17-6-5-12-8-22-9-18-12)11-3-4-13-14(7-11)21-16(19-13)10-1-2-10/h3-4,7-10H,1-2,5-6H2,(H,17,20).
What are the key properties of 2-cyclopropyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-6-carboxamide?
2-cyclopropyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 25454808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).