N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide

C22H18N2O3 — CID 2995461

IUPACN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide
SMILESCOc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C22H18N2O3/c1-14-7-9-15(10-8-14)21(25)23-18-13-16(11-12-19(18)26-2)22-24-17-5-3-4-6-20(17)27-22/h3-13H,1-2H3,(H,23,25)
InChIKeyAZPKCNIPXZPAOH-UHFFFAOYSA-N
MW358.40 g/mol
LogP5.06
Rot. Bonds4

About N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide

N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide (PubChem CID 2995461) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide
PubChem CID2995461
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide
SMILESCOc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C22H18N2O3/c1-14-7-9-15(10-8-14)21(25)23-18-13-16(11-12-19(18)26-2)22-24-17-5-3-4-6-20(17)27-22/h3-13H,1-2H3,(H,23,25)
InChIKeyAZPKCNIPXZPAOH-UHFFFAOYSA-N
XLogP5.06
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide
CID 3161340
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide
CID 4510569
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-[(1R)-1-phenylethoxy]benzamide
CID 168787253
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide
CID 1497032
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide
CID 1495772
4-bromo-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyphenyl]benzamide
CID 3322598
N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide
CID 3815714
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide
CID 4682019
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3,5-difluoro-4-phenylmethoxybenzamide
CID 168787277
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 1114221
N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-3-methoxybenzamide
CID 2481063
3,4-dimethoxy-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide
CID 39349570

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide?
The IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide (CID 2995461) is N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide.
What is the SMILES notation for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide?
The canonical SMILES for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide is COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide?
The InChIKey is AZPKCNIPXZPAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-14-7-9-15(10-8-14)21(25)23-18-13-16(11-12-19(18)26-2)22-24-17-5-3-4-6-20(17)27-22/h3-13H,1-2H3,(H,23,25).
What are the key properties of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide?
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide has a molecular weight of 358.40 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide is sourced from PubChem (CID 2995461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).