N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide

C14H16N2O3 — CID 103865338

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NCc1c(C)noc1C
InChIInChI=1S/C14H16N2O3/c1-8-6-11(17)4-5-12(8)14(18)15-7-13-9(2)16-19-10(13)3/h4-6,17H,7H2,1-3H3,(H,15,18)
InChIKeyOKPKHTLDNQJNMI-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.24
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide (PubChem CID 103865338) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
PubChem CID103865338
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NCc1c(C)noc1C
InChIInChI=1S/C14H16N2O3/c1-8-6-11(17)4-5-12(8)14(18)15-7-13-9(2)16-19-10(13)3/h4-6,17H,7H2,1-3H3,(H,15,18)
InChIKeyOKPKHTLDNQJNMI-UHFFFAOYSA-N
XLogP2.24
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-2-methylbenzamide
CID 112702398
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide
CID 114344508
5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide
CID 102705730
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide
CID 79241601
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4-trifluorobenzamide
CID 110730995
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethoxybenzamide
CID 47861665
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide
CID 106686991
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 104627877
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-sulfanylbenzamide
CID 107032011
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide
CID 47861733
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 47935324
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)pyridine-4-carboxamide
CID 105070606

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide (CID 103865338) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide is Cc1cc(O)ccc1C(=O)NCc1c(C)noc1C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide?
The InChIKey is OKPKHTLDNQJNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-6-11(17)4-5-12(8)14(18)15-7-13-9(2)16-19-10(13)3/h4-6,17H,7H2,1-3H3,(H,15,18).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide has a molecular weight of 260.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 103865338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).