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

C21H17N3O3 — CID 134799606

IUPACN-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3nc(-c4ccncc4)oc3c2)c1
InChIInChI=1S/C21H17N3O3/c1-26-17-4-2-3-14(11-17)13-23-20(25)16-5-6-18-19(12-16)27-21(24-18)15-7-9-22-10-8-15/h2-12H,13H2,1H3,(H,23,25)
InChIKeyKYLQNNOEOBBHTI-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.83
Rot. Bonds5

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

N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide (PubChem CID 134799606) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
PubChem CID134799606
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3nc(-c4ccncc4)oc3c2)c1
InChIInChI=1S/C21H17N3O3/c1-26-17-4-2-3-14(11-17)13-23-20(25)16-5-6-18-19(12-16)27-21(24-18)15-7-9-22-10-8-15/h2-12H,13H2,1H3,(H,23,25)
InChIKeyKYLQNNOEOBBHTI-UHFFFAOYSA-N
XLogP3.83
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17100829
N-[(3-methoxyphenyl)methyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089540
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17163458
N-[(1-ethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 25299123
N-(3-methoxypropyl)-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
CID 134797727
N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 170951274
2-(3-methoxyphenyl)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzoxazole-6-carboxamide
CID 72864600
2-(3-methoxyphenyl)-N-[(S)-phenyl(pyridin-4-yl)methyl]-1,3-benzoxazole-6-carboxamide
CID 42519585
3-methoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide
CID 17336615
2-(3-methoxyphenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3-benzoxazole-6-carboxamide
CID 42521796
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 17100815
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide (CID 134799606) is N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide is COc1cccc(CNC(=O)c2ccc3nc(-c4ccncc4)oc3c2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide?
The InChIKey is KYLQNNOEOBBHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-26-17-4-2-3-14(11-17)13-23-20(25)16-5-6-18-19(12-16)27-21(24-18)15-7-9-22-10-8-15/h2-12H,13H2,1H3,(H,23,25).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide?
N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 134799606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).