N-[(1-ethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide

C21H20N4O3 — CID 25299123

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
SMILESCCn1cc(CNC(=O)c2ccc3nc(-c4cccc(OC)c4)oc3c2)cn1
InChIInChI=1S/C21H20N4O3/c1-3-25-13-14(12-23-25)11-22-20(26)15-7-8-18-19(10-15)28-21(24-18)16-5-4-6-17(9-16)27-2/h4-10,12-13H,3,11H2,1-2H3,(H,22,26)
InChIKeyLBJRTDLXKSALNO-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.65
Rot. Bonds6

About N-[(1-ethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide

N-[(1-ethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 25299123) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
PubChem CID25299123
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
SMILESCCn1cc(CNC(=O)c2ccc3nc(-c4cccc(OC)c4)oc3c2)cn1
InChIInChI=1S/C21H20N4O3/c1-3-25-13-14(12-23-25)11-22-20(26)15-7-8-18-19(10-15)28-21(24-18)16-5-4-6-17(9-16)27-2/h4-10,12-13H,3,11H2,1-2H3,(H,22,26)
InChIKeyLBJRTDLXKSALNO-UHFFFAOYSA-N
XLogP3.65
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
CID 134799606
2-(3-methoxyphenyl)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzoxazole-6-carboxamide
CID 72864600
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17100829
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 72927113
2-(3-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,3-benzoxazole-6-carboxamide
CID 42512111
N-[(1-ethylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide
CID 25297143
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17163458
2-(3-methoxyphenyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3-benzoxazole-6-carboxamide
CID 26324000
2-(3-methoxyphenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3-benzoxazole-6-carboxamide
CID 42521796
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 19290566
N-[(3-methoxyphenyl)methyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089540
2-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 143659675

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide (CID 25299123) is N-[(1-ethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide is CCn1cc(CNC(=O)c2ccc3nc(-c4cccc(OC)c4)oc3c2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is LBJRTDLXKSALNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-3-25-13-14(12-23-25)11-22-20(26)15-7-8-18-19(10-15)28-21(24-18)16-5-4-6-17(9-16)27-2/h4-10,12-13H,3,11H2,1-2H3,(H,22,26).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 25299123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).