N-(1-cyclopropyl-3-hydroxypropyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide

C16H18N2O4 — CID 166249987

IUPACN-(1-cyclopropyl-3-hydroxypropyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC(CCO)C1CC1)c1cc(-c2cccc(O)c2)on1
InChIInChI=1S/C16H18N2O4/c19-7-6-13(10-4-5-10)17-16(21)14-9-15(22-18-14)11-2-1-3-12(20)8-11/h1-3,8-10,13,19-20H,4-7H2,(H,17,21)
InChIKeyYHBTXZXRSUDXRP-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.94
Rot. Bonds6

About N-(1-cyclopropyl-3-hydroxypropyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide

N-(1-cyclopropyl-3-hydroxypropyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 166249987) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-(1-cyclopropyl-3-hydroxypropyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-3-hydroxypropyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID166249987
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-(1-cyclopropyl-3-hydroxypropyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC(CCO)C1CC1)c1cc(-c2cccc(O)c2)on1
InChIInChI=1S/C16H18N2O4/c19-7-6-13(10-4-5-10)17-16(21)14-9-15(22-18-14)11-2-1-3-12(20)8-11/h1-3,8-10,13,19-20H,4-7H2,(H,17,21)
InChIKeyYHBTXZXRSUDXRP-UHFFFAOYSA-N
XLogP1.94
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 75429233
N-(2-amino-1-cyclohexylethyl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119589991
N-(2-amino-1-cyclopropylethyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119616138
N-(2-cyclopropyl-2-hydroxyethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 63295331
N-(3-hydroxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093722
N-(2-ethylphenyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 5308609
N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-5-(3-hydroxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 164628117
[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 22427451
5-(3-methylphenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide
CID 46087302
2-cyclopropyl-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 119213726
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 17253032
N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 144981675

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-3-hydroxypropyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-cyclopropyl-3-hydroxypropyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide (CID 166249987) is N-(1-cyclopropyl-3-hydroxypropyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-3-hydroxypropyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-3-hydroxypropyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide is O=C(NC(CCO)C1CC1)c1cc(-c2cccc(O)c2)on1.
What is the InChIKey of N-(1-cyclopropyl-3-hydroxypropyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is YHBTXZXRSUDXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-7-6-13(10-4-5-10)17-16(21)14-9-15(22-18-14)11-2-1-3-12(20)8-11/h1-3,8-10,13,19-20H,4-7H2,(H,17,21).
What are the key properties of N-(1-cyclopropyl-3-hydroxypropyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
N-(1-cyclopropyl-3-hydroxypropyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-3-hydroxypropyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 166249987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).