N-[3-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide

C11H10N2O3 — CID 60630049

IUPACN-[3-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1ccno1
InChIInChI=1S/C11H10N2O3/c14-7-8-2-1-3-9(6-8)13-11(15)10-4-5-12-16-10/h1-6,14H,7H2,(H,13,15)
InChIKeyZPMSEHXBRGRVJM-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.42
Rot. Bonds3

About N-[3-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide

N-[3-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 60630049) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID60630049
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC NameN-[3-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1ccno1
InChIInChI=1S/C11H10N2O3/c14-7-8-2-1-3-9(6-8)13-11(15)10-4-5-12-16-10/h1-6,14H,7H2,(H,13,15)
InChIKeyZPMSEHXBRGRVJM-UHFFFAOYSA-N
XLogP1.42
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 110693653
2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetic acid
CID 55148878
methyl 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetate
CID 61057722
[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]phosphonic acid
CID 54125815
N-(3,4-difluorophenyl)-1,2-oxazole-5-carboxamide
CID 110693698
N-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 54898037
2,3-difluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 62660527
2,4,6-trifluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 65100821
5-(1,2-oxazole-5-carbonylamino)benzene-1,3-dicarboxylic acid
CID 60845787
2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 51891437
3,5-dichloro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629922
N-[3-(3-methylanilino)-3-oxopropyl]-1,2-oxazole-5-carboxamide
CID 131915937

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide (CID 60630049) is N-[3-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide is O=C(Nc1cccc(CO)c1)c1ccno1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is ZPMSEHXBRGRVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-7-8-2-1-3-9(6-8)13-11(15)10-4-5-12-16-10/h1-6,14H,7H2,(H,13,15).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide?
N-[3-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 218.21 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 60630049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).