N-[3-(hydroxymethyl)-4-methoxyphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

C15H18N2O4 — CID 90275272

IUPACN-[3-(hydroxymethyl)-4-methoxyphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C(C)C)on2)cc1CO
InChIInChI=1S/C15H18N2O4/c1-9(2)14-7-12(17-21-14)15(19)16-11-4-5-13(20-3)10(6-11)8-18/h4-7,9,18H,8H2,1-3H3,(H,16,19)
InChIKeyBCYUBECLYRGOAV-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.55
Rot. Bonds5

About N-[3-(hydroxymethyl)-4-methoxyphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-[3-(hydroxymethyl)-4-methoxyphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 90275272) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-4-methoxyphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-4-methoxyphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID90275272
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-[3-(hydroxymethyl)-4-methoxyphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C(C)C)on2)cc1CO
InChIInChI=1S/C15H18N2O4/c1-9(2)14-7-12(17-21-14)15(19)16-11-4-5-13(20-3)10(6-11)8-18/h4-7,9,18H,8H2,1-3H3,(H,16,19)
InChIKeyBCYUBECLYRGOAV-UHFFFAOYSA-N
XLogP2.55
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 17253289
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 2470130
5-(2-chlorophenyl)-N-[3-(hydroxymethyl)-4-methoxyphenyl]furan-2-carboxamide
CID 99703143
3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369102
N-[5-(butanoylamino)-2-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 131943646
N-(2,6-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 3076174
N-(5-acetamido-2-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17417372
N-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 96661325
methyl 5-[[3-(hydroxymethyl)-4-methoxyphenyl]carbamoylamino]-2-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 91147202
(E)-N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75462529
N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 71879499

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-4-methoxyphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)-4-methoxyphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 90275272) is N-[3-(hydroxymethyl)-4-methoxyphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-4-methoxyphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)-4-methoxyphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is COc1ccc(NC(=O)c2cc(C(C)C)on2)cc1CO.
What is the InChIKey of N-[3-(hydroxymethyl)-4-methoxyphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is BCYUBECLYRGOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9(2)14-7-12(17-21-14)15(19)16-11-4-5-13(20-3)10(6-11)8-18/h4-7,9,18H,8H2,1-3H3,(H,16,19).
What are the key properties of N-[3-(hydroxymethyl)-4-methoxyphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[3-(hydroxymethyl)-4-methoxyphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-4-methoxyphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90275272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).