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

C21H22N2O4 — CID 42512111

IUPAC2-(3-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,3-benzoxazole-6-carboxamide
SMILESCOc1cccc(-c2nc3ccc(C(=O)NC[C@H]4CCCCO4)cc3o2)c1
InChIInChI=1S/C21H22N2O4/c1-25-16-7-4-5-15(11-16)21-23-18-9-8-14(12-19(18)27-21)20(24)22-13-17-6-2-3-10-26-17/h4-5,7-9,11-12,17H,2-3,6,10,13H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyCNWRTYRCAAHZJC-QGZVFWFLSA-N
MW366.42 g/mol
LogP3.80
Rot. Bonds5

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

2-(3-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 42512111) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,3-benzoxazole-6-carboxamide
PubChem CID42512111
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-(3-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,3-benzoxazole-6-carboxamide
SMILESCOc1cccc(-c2nc3ccc(C(=O)NC[C@H]4CCCCO4)cc3o2)c1
InChIInChI=1S/C21H22N2O4/c1-25-16-7-4-5-15(11-16)21-23-18-9-8-14(12-19(18)27-21)20(24)22-13-17-6-2-3-10-26-17/h4-5,7-9,11-12,17H,2-3,6,10,13H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyCNWRTYRCAAHZJC-QGZVFWFLSA-N
XLogP3.80
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
2-(3-methoxyphenyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3-benzoxazole-6-carboxamide
CID 26324000
2-(3-methoxyphenyl)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzoxazole-6-carboxamide
CID 72864600
3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 1217033
N-[(1-ethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 25299123
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 72927113
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46386589
N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
CID 134799606
[(3R)-3-hydroxypiperidin-1-yl]-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone
CID 42526479
2-(3-methoxyphenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3-benzoxazole-6-carboxamide
CID 42521796
2-(3-methoxyphenyl)-N-[(S)-phenyl(pyridin-4-yl)methyl]-1,3-benzoxazole-6-carboxamide
CID 42519585
2-(3-methoxyphenyl)-6,8-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1313899

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,3-benzoxazole-6-carboxamide (CID 42512111) is 2-(3-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,3-benzoxazole-6-carboxamide is COc1cccc(-c2nc3ccc(C(=O)NC[C@H]4CCCCO4)cc3o2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is CNWRTYRCAAHZJC-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-25-16-7-4-5-15(11-16)21-23-18-9-8-14(12-19(18)27-21)20(24)22-13-17-6-2-3-10-26-17/h4-5,7-9,11-12,17H,2-3,6,10,13H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 2-(3-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,3-benzoxazole-6-carboxamide?
2-(3-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 42512111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).