2-cyclopropyl-N-(pyrimidin-4-ylmethyl)-1,3-benzoxazole-6-carboxamide

C16H14N4O2 — CID 26318348

IUPAC2-cyclopropyl-N-(pyrimidin-4-ylmethyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCc1ccncn1)c1ccc2nc(C3CC3)oc2c1
InChIInChI=1S/C16H14N4O2/c21-15(18-8-12-5-6-17-9-19-12)11-3-4-13-14(7-11)22-16(20-13)10-1-2-10/h3-7,9-10H,1-2,8H2,(H,18,21)
InChIKeyYBRDVZKWZWJILR-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.43
Rot. Bonds4

About 2-cyclopropyl-N-(pyrimidin-4-ylmethyl)-1,3-benzoxazole-6-carboxamide

2-cyclopropyl-N-(pyrimidin-4-ylmethyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 26318348) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-(pyrimidin-4-ylmethyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(pyrimidin-4-ylmethyl)-1,3-benzoxazole-6-carboxamide
PubChem CID26318348
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2-cyclopropyl-N-(pyrimidin-4-ylmethyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCc1ccncn1)c1ccc2nc(C3CC3)oc2c1
InChIInChI=1S/C16H14N4O2/c21-15(18-8-12-5-6-17-9-19-12)11-3-4-13-14(7-11)22-16(20-13)10-1-2-10/h3-7,9-10H,1-2,8H2,(H,18,21)
InChIKeyYBRDVZKWZWJILR-UHFFFAOYSA-N
XLogP2.43
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 25454808
2-cyclopropyl-N-(2-imidazol-1-ylethyl)-1,3-benzoxazole-6-carboxamide
CID 25278720
2-cyclopropyl-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 42289150
4-fluoro-3-hydroxy-N-(pyrimidin-4-ylmethyl)benzamide
CID 77082981
N-[(6-cyclopropylpyrimidin-4-yl)methyl]quinoxaline-6-carboxamide
CID 122263987
2-cyclohexyl-N-(3-pyrazol-1-ylpropyl)-1,3-benzoxazole-6-carboxamide
CID 25382694
2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide
CID 53199043
2-cyclohexyl-1,3-benzoxazole-6-carboxylic acid
CID 66771669
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyclohexyl-1,3-benzoxazole-6-carboxamide
CID 42596394
2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)pyridine-4-carboxamide
CID 114110725
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-pyridin-2-ylpropanamide
CID 71976114
3-morpholin-4-ylsulfonyl-N-(pyrimidin-4-ylmethyl)benzamide
CID 77097656

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(pyrimidin-4-ylmethyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(pyrimidin-4-ylmethyl)-1,3-benzoxazole-6-carboxamide (CID 26318348) is 2-cyclopropyl-N-(pyrimidin-4-ylmethyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(pyrimidin-4-ylmethyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(pyrimidin-4-ylmethyl)-1,3-benzoxazole-6-carboxamide is O=C(NCc1ccncn1)c1ccc2nc(C3CC3)oc2c1.
What is the InChIKey of 2-cyclopropyl-N-(pyrimidin-4-ylmethyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is YBRDVZKWZWJILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-15(18-8-12-5-6-17-9-19-12)11-3-4-13-14(7-11)22-16(20-13)10-1-2-10/h3-7,9-10H,1-2,8H2,(H,18,21).
What are the key properties of 2-cyclopropyl-N-(pyrimidin-4-ylmethyl)-1,3-benzoxazole-6-carboxamide?
2-cyclopropyl-N-(pyrimidin-4-ylmethyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(pyrimidin-4-ylmethyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 26318348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).