2-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide

C18H22N4O2 — CID 24790749

IUPAC2-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide
SMILESCCCCc1nc2cc(C(=O)NCc3cn(C)nc3C)ccc2o1
InChIInChI=1S/C18H22N4O2/c1-4-5-6-17-20-15-9-13(7-8-16(15)24-17)18(23)19-10-14-11-22(3)21-12(14)2/h7-9,11H,4-6,10H2,1-3H3,(H,19,23)
InChIKeyVIFPAJXPOFDRRX-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.14
Rot. Bonds6

About 2-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide

2-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide (PubChem CID 24790749) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide
PubChem CID24790749
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide
SMILESCCCCc1nc2cc(C(=O)NCc3cn(C)nc3C)ccc2o1
InChIInChI=1S/C18H22N4O2/c1-4-5-6-17-20-15-9-13(7-8-16(15)24-17)18(23)19-10-14-11-22(3)21-12(14)2/h7-9,11H,4-6,10H2,1-3H3,(H,19,23)
InChIKeyVIFPAJXPOFDRRX-UHFFFAOYSA-N
XLogP3.14
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-{N-[5-(1H-pyrazol-1-ylmethyl)-2-furoyl]ethanehydrazonoyl}phenyl)isonicotinamide
CID 5431606
methyl N-{[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]carbonyl}-D-alaninate
CID 23723817
2-butyl-N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 24794231
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]pyridine-3-carboxamide
CID 6472613
2-(2-methoxyethyl)-N-methyl-N-[3-(1H-pyrazol-1-yl)benzyl]-1,3-benzoxazole-6-carboxamide
CID 24790588
2-butyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 24791010
2-butyl-N-methyl-N-[1-(2-pyridinyl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 24791130
N-[(1-ethylpyrazol-4-yl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 24791739
N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-(2-fluorobenzyl)-1,3-benzoxazole-6-carboxamide
CID 24792942
2-isopropyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 24794065
2-(2-fluorobenzyl)-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 24794129
2-butyl-N-[(1-ethyl-1H-imidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide
CID 24794271

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide (CID 24790749) is 2-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide is CCCCc1nc2cc(C(=O)NCc3cn(C)nc3C)ccc2o1.
What is the InChIKey of 2-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide?
The InChIKey is VIFPAJXPOFDRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-4-5-6-17-20-15-9-13(7-8-16(15)24-17)18(23)19-10-14-11-22(3)21-12(14)2/h7-9,11H,4-6,10H2,1-3H3,(H,19,23).
What are the key properties of 2-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide?
2-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 24790749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).