N-(3-hydroxy-4-methylpentyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide

C17H22N2O3 — CID 111463100

IUPACN-(3-hydroxy-4-methylpentyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)NCCC(O)C(C)C)cc1
InChIInChI=1S/C17H22N2O3/c1-11(2)14(20)8-9-18-17(21)15-16(22-10-19-15)13-6-4-12(3)5-7-13/h4-7,10-11,14,20H,8-9H2,1-3H3,(H,18,21)
InChIKeyJWTPEAFFLZGZSF-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.79
Rot. Bonds6

About N-(3-hydroxy-4-methylpentyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide

N-(3-hydroxy-4-methylpentyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 111463100) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID111463100
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(3-hydroxy-4-methylpentyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)NCCC(O)C(C)C)cc1
InChIInChI=1S/C17H22N2O3/c1-11(2)14(20)8-9-18-17(21)15-16(22-10-19-15)13-6-4-12(3)5-7-13/h4-7,10-11,14,20H,8-9H2,1-3H3,(H,18,21)
InChIKeyJWTPEAFFLZGZSF-UHFFFAOYSA-N
XLogP2.79
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide;dihydrochloride
CID 119502119
N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 120651301
N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 97006110
2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid
CID 67884067
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 111463000
5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 2739751
N-[(2-hydroxycyclopentyl)methyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 111471045
N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate
CID 19768465
3-[methyl-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]amino]propanoic acid
CID 119232828
N-(3-hydroxy-4-methylpentyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 111461200
1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111460800
N-(3-hydroxy-4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide
CID 111460772

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide (CID 111463100) is N-(3-hydroxy-4-methylpentyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1ccc(-c2ocnc2C(=O)NCCC(O)C(C)C)cc1.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is JWTPEAFFLZGZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11(2)14(20)8-9-18-17(21)15-16(22-10-19-15)13-6-4-12(3)5-7-13/h4-7,10-11,14,20H,8-9H2,1-3H3,(H,18,21).
What are the key properties of N-(3-hydroxy-4-methylpentyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
N-(3-hydroxy-4-methylpentyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 111463100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).