1-(3-phenyl-1,2-oxazol-5-yl)ethenamine

C11H10N2O — CID 143747120

IUPAC1-(3-phenyl-1,2-oxazol-5-yl)ethenamine
SMILESC=C(N)c1cc(-c2ccccc2)no1
InChIInChI=1S/C11H10N2O/c1-8(12)11-7-10(13-14-11)9-5-3-2-4-6-9/h2-7H,1,12H2
InChIKeyAFTFRRFTDDKFNR-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.27
Rot. Bonds2

About 1-(3-phenyl-1,2-oxazol-5-yl)ethenamine

1-(3-phenyl-1,2-oxazol-5-yl)ethenamine (PubChem CID 143747120) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(3-phenyl-1,2-oxazol-5-yl)ethenamine.

Molecular Properties

Compound Name1-(3-phenyl-1,2-oxazol-5-yl)ethenamine
PubChem CID143747120
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name1-(3-phenyl-1,2-oxazol-5-yl)ethenamine
SMILESC=C(N)c1cc(-c2ccccc2)no1
InChIInChI=1S/C11H10N2O/c1-8(12)11-7-10(13-14-11)9-5-3-2-4-6-9/h2-7H,1,12H2
InChIKeyAFTFRRFTDDKFNR-UHFFFAOYSA-N
XLogP2.27
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-phenyl-1,2-oxazol-5-yl)butan-1-one
CID 10130602
(2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 61137160
N-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 89210653
3-(dimethylamino)-1-(3-phenyl-1,2-oxazol-5-yl)prop-2-en-1-one
CID 2745542
N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 43428096
4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119188577
N-(1-aminopropan-2-yl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119584563
(3R,6R)-6-methyl-1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-3-carboxamide
CID 95585010
3-[4-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 90202510
3-phenyl-N-(2,4,4-trimethylpentan-2-yl)-1,2-oxazole-5-carboxamide
CID 55670941
N-[1-(hydroxymethyl)cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 115877876
(2-methylpiperazin-1-yl)-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 119473005

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-1,2-oxazol-5-yl)ethenamine?
The IUPAC name of 1-(3-phenyl-1,2-oxazol-5-yl)ethenamine (CID 143747120) is 1-(3-phenyl-1,2-oxazol-5-yl)ethenamine.
What is the SMILES notation for 1-(3-phenyl-1,2-oxazol-5-yl)ethenamine?
The canonical SMILES for 1-(3-phenyl-1,2-oxazol-5-yl)ethenamine is C=C(N)c1cc(-c2ccccc2)no1.
What is the InChIKey of 1-(3-phenyl-1,2-oxazol-5-yl)ethenamine?
The InChIKey is AFTFRRFTDDKFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-8(12)11-7-10(13-14-11)9-5-3-2-4-6-9/h2-7H,1,12H2.
What are the key properties of 1-(3-phenyl-1,2-oxazol-5-yl)ethenamine?
1-(3-phenyl-1,2-oxazol-5-yl)ethenamine has a molecular weight of 186.21 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-1,2-oxazol-5-yl)ethenamine is sourced from PubChem (CID 143747120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).