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

C21H16N2O3 — CID 739837

IUPACN-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1
InChIInChI=1S/C21H16N2O3/c1-13-6-8-14(9-7-13)20(25)22-15-10-11-16(18(24)12-15)21-23-17-4-2-3-5-19(17)26-21/h2-12,24H,1H3,(H,22,25)
InChIKeyJDFBNXDWHVHDLV-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.76
Rot. Bonds3

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

N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methylbenzamide (PubChem CID 739837) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methylbenzamide
PubChem CID739837
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1
InChIInChI=1S/C21H16N2O3/c1-13-6-8-14(9-7-13)20(25)22-15-10-11-16(18(24)12-15)21-23-17-4-2-3-5-19(17)26-21/h2-12,24H,1H3,(H,22,25)
InChIKeyJDFBNXDWHVHDLV-UHFFFAOYSA-N
XLogP4.76
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-tert-butylbenzamide
CID 2263263
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]pyridine-3-carboxamide
CID 4088215
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-bromobenzamide
CID 2263361
2-[2-(1,3-benzoxazol-2-yl)-4-[(4-methylbenzoyl)amino]phenoxy]acetic acid
CID 28691918
S-[[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamoylamino] 4-methylbenzenecarbothioate
CID 135801898
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-1H-1,2,4-triazole-5-carboxamide
CID 709599
N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide
CID 135812260
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-(2-methylpropoxy)benzamide
CID 135645665
N-[[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-3,5-dimethoxybenzamide
CID 1345433
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide
CID 2995461
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3,4,5-trimethoxybenzamide
CID 1364043
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-1,3-benzodioxole-5-carboxamide
CID 135645667

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methylbenzamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methylbenzamide (CID 739837) is N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methylbenzamide?
The InChIKey is JDFBNXDWHVHDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-13-6-8-14(9-7-13)20(25)22-15-10-11-16(18(24)12-15)21-23-17-4-2-3-5-19(17)26-21/h2-12,24H,1H3,(H,22,25).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methylbenzamide?
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methylbenzamide has a molecular weight of 344.37 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methylbenzamide is sourced from PubChem (CID 739837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).