3-phenyl-1,2-oxazol-5-amine;1H-pyrrole

C13H13N3O — CID 159562874

IUPAC3-phenyl-1,2-oxazol-5-amine;1H-pyrrole
SMILESNc1cc(-c2ccccc2)no1.c1cc[nH]c1
InChIInChI=1S/C9H8N2O.C4H5N/c10-9-6-8(11-12-9)7-4-2-1-3-5-7;1-2-4-5-3-1/h1-6H,10H2;1-5H
InChIKeyMGVLSQYTKBGJHH-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.94
Rot. Bonds1

About 3-phenyl-1,2-oxazol-5-amine;1H-pyrrole

3-phenyl-1,2-oxazol-5-amine;1H-pyrrole (PubChem CID 159562874) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-phenyl-1,2-oxazol-5-amine;1H-pyrrole.

Molecular Properties

Compound Name3-phenyl-1,2-oxazol-5-amine;1H-pyrrole
PubChem CID159562874
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name3-phenyl-1,2-oxazol-5-amine;1H-pyrrole
SMILESNc1cc(-c2ccccc2)no1.c1cc[nH]c1
InChIInChI=1S/C9H8N2O.C4H5N/c10-9-6-8(11-12-9)7-4-2-1-3-5-7;1-2-4-5-3-1/h1-6H,10H2;1-5H
InChIKeyMGVLSQYTKBGJHH-UHFFFAOYSA-N
XLogP2.94
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylacetyl chloride;3-phenyl-1,2-oxazol-5-amine
CID 87620119
3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 3382841
3-[3-(fluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117282839
3-(2,5-diethoxy-4-phenylphenyl)-1,2-oxazol-5-amine
CID 3717112
3-(4-methoxy-3-phenylphenyl)-1,2-oxazol-5-amine
CID 117419696
2-[3-(5-amino-1,2-oxazol-3-yl)phenyl]ethanol
CID 115112295
3-(3-nitrophenyl)-1,2-oxazol-5-amine
CID 20983345
3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine
CID 5100398
3-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3829147
3-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine
CID 117494983
3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine
CID 117321318
5-phenyl-3-pyridin-4-yl-1,2-oxazole
CID 5112426

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,2-oxazol-5-amine;1H-pyrrole?
The IUPAC name of 3-phenyl-1,2-oxazol-5-amine;1H-pyrrole (CID 159562874) is 3-phenyl-1,2-oxazol-5-amine;1H-pyrrole.
What is the SMILES notation for 3-phenyl-1,2-oxazol-5-amine;1H-pyrrole?
The canonical SMILES for 3-phenyl-1,2-oxazol-5-amine;1H-pyrrole is Nc1cc(-c2ccccc2)no1.c1cc[nH]c1.
What is the InChIKey of 3-phenyl-1,2-oxazol-5-amine;1H-pyrrole?
The InChIKey is MGVLSQYTKBGJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O.C4H5N/c10-9-6-8(11-12-9)7-4-2-1-3-5-7;1-2-4-5-3-1/h1-6H,10H2;1-5H.
What are the key properties of 3-phenyl-1,2-oxazol-5-amine;1H-pyrrole?
3-phenyl-1,2-oxazol-5-amine;1H-pyrrole has a molecular weight of 227.27 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,2-oxazol-5-amine;1H-pyrrole is sourced from PubChem (CID 159562874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).