[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl] N-(2-pyridin-3-ylethyl)carbamate

C17H15N3O4 — CID 136655993

IUPAC[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl] N-(2-pyridin-3-ylethyl)carbamate
SMILESO=C(NCCc1cccnc1)Oc1cc(-c2ccc(O)cc2)on1
InChIInChI=1S/C17H15N3O4/c21-14-5-3-13(4-6-14)15-10-16(20-24-15)23-17(22)19-9-7-12-2-1-8-18-11-12/h1-6,8,10-11,21H,7,9H2,(H,19,22)
InChIKeyXWVWFOCFJLHCQD-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.77
Rot. Bonds5

About [5-(4-hydroxyphenyl)-1,2-oxazol-3-yl] N-(2-pyridin-3-ylethyl)carbamate

[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl] N-(2-pyridin-3-ylethyl)carbamate (PubChem CID 136655993) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is [5-(4-hydroxyphenyl)-1,2-oxazol-3-yl] N-(2-pyridin-3-ylethyl)carbamate.

Molecular Properties

Compound Name[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl] N-(2-pyridin-3-ylethyl)carbamate
PubChem CID136655993
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl] N-(2-pyridin-3-ylethyl)carbamate
SMILESO=C(NCCc1cccnc1)Oc1cc(-c2ccc(O)cc2)on1
InChIInChI=1S/C17H15N3O4/c21-14-5-3-13(4-6-14)15-10-16(20-24-15)23-17(22)19-9-7-12-2-1-8-18-11-12/h1-6,8,10-11,21H,7,9H2,(H,19,22)
InChIKeyXWVWFOCFJLHCQD-UHFFFAOYSA-N
XLogP2.77
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-phenyl-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 24738148
N-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108502983
N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 24738150
2-fluoro-4-hydroxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104928329
5-(4-methylphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 46141727
methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
CID 112616794
1-[2-(4-hydroxyphenyl)ethyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 122156014
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-4-pyridin-3-ylbutanamide
CID 110634060
methyl N-(4-pyridin-3-ylbutyl)carbamate
CID 110661300
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
1-cyano-N-(2-pyridin-3-ylethyl)formamide
CID 115172568
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248

Frequently Asked Questions

What is the IUPAC name of [5-(4-hydroxyphenyl)-1,2-oxazol-3-yl] N-(2-pyridin-3-ylethyl)carbamate?
The IUPAC name of [5-(4-hydroxyphenyl)-1,2-oxazol-3-yl] N-(2-pyridin-3-ylethyl)carbamate (CID 136655993) is [5-(4-hydroxyphenyl)-1,2-oxazol-3-yl] N-(2-pyridin-3-ylethyl)carbamate.
What is the SMILES notation for [5-(4-hydroxyphenyl)-1,2-oxazol-3-yl] N-(2-pyridin-3-ylethyl)carbamate?
The canonical SMILES for [5-(4-hydroxyphenyl)-1,2-oxazol-3-yl] N-(2-pyridin-3-ylethyl)carbamate is O=C(NCCc1cccnc1)Oc1cc(-c2ccc(O)cc2)on1.
What is the InChIKey of [5-(4-hydroxyphenyl)-1,2-oxazol-3-yl] N-(2-pyridin-3-ylethyl)carbamate?
The InChIKey is XWVWFOCFJLHCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c21-14-5-3-13(4-6-14)15-10-16(20-24-15)23-17(22)19-9-7-12-2-1-8-18-11-12/h1-6,8,10-11,21H,7,9H2,(H,19,22).
What are the key properties of [5-(4-hydroxyphenyl)-1,2-oxazol-3-yl] N-(2-pyridin-3-ylethyl)carbamate?
[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl] N-(2-pyridin-3-ylethyl)carbamate has a molecular weight of 325.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-hydroxyphenyl)-1,2-oxazol-3-yl] N-(2-pyridin-3-ylethyl)carbamate is sourced from PubChem (CID 136655993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).