N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide

C18H18N2O3 — CID 136794425

IUPACN-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)c(O)c1
InChIInChI=1S/C18H18N2O3/c1-3-4-17(22)19-12-6-7-13(15(21)10-12)18-20-14-9-11(2)5-8-16(14)23-18/h5-10,21H,3-4H2,1-2H3,(H,19,22)
InChIKeyIPASEGBGVRSQIP-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.25
Rot. Bonds4

About N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide

N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide (PubChem CID 136794425) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide
PubChem CID136794425
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)c(O)c1
InChIInChI=1S/C18H18N2O3/c1-3-4-17(22)19-12-6-7-13(15(21)10-12)18-20-14-9-11(2)5-8-16(14)23-18/h5-10,21H,3-4H2,1-2H3,(H,19,22)
InChIKeyIPASEGBGVRSQIP-UHFFFAOYSA-N
XLogP4.25
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide
CID 4089024
N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]butanamide
CID 952231
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]butanamide
CID 1369889
2-(2,4-dimethylphenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 135843357
N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-dimethylpropanamide
CID 136794414
N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]pentanamide
CID 137156665
2-(4-bromophenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 135625532
N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]hexanamide
CID 135838577
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methylbenzamide
CID 739837
N-[2-[2-hydroxy-4-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]-1,3-benzoxazol-5-yl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135795943
tetrakis(2-(5-methyl-1,3-benzoxazol-2-yl)phenol);zirconium
CID 173044170
4-[2-(5-methyl-1,3-benzoxazol-2-yl)anilino]-4-oxobutanoic acid
CID 3530071

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide?
The IUPAC name of N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide (CID 136794425) is N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide.
What is the SMILES notation for N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide?
The canonical SMILES for N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide is CCCC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)c(O)c1.
What is the InChIKey of N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide?
The InChIKey is IPASEGBGVRSQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-4-17(22)19-12-6-7-13(15(21)10-12)18-20-14-9-11(2)5-8-16(14)23-18/h5-10,21H,3-4H2,1-2H3,(H,19,22).
What are the key properties of N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide?
N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide has a molecular weight of 310.35 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide is sourced from PubChem (CID 136794425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).