(4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine

C15H14N2O — CID 24966828

IUPAC(4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2ccc(-c3ccccc3)cc2)CO1
InChIInChI=1S/C15H14N2O/c16-15-17-14(10-18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14H,10H2,(H2,16,17)/t14-/m1/s1
InChIKeyVXPAHLKILGDCAD-CQSZACIVSA-N
MW238.29 g/mol
LogP2.74
Rot. Bonds2

About (4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 24966828) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is (4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID24966828
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name(4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2ccc(-c3ccccc3)cc2)CO1
InChIInChI=1S/C15H14N2O/c16-15-17-14(10-18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14H,10H2,(H2,16,17)/t14-/m1/s1
InChIKeyVXPAHLKILGDCAD-CQSZACIVSA-N
XLogP2.74
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)aniline
CID 89120771
(4S)-4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 68711327
4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323741
2-(2,6-difluorophenyl)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007837
(4S)-4-(3,4-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966462
12,25-diphenyl-4,7,17,20-tetraoxa-28,29,31,32-tetrazaheptacyclo[21.3.1.12,5.16,9.110,14.115,18.119,22]dotriaconta-1(27),5(32),6(31),10(30),11,13,18(29),19(28),23,25-decaene
CID 166018407
3,5-diphenyl-2,3-dihydro-1,4-oxazin-6-one
CID 15206016
(4R)-4-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323787
(4S)-4-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole
CID 164886351
4-(4-methoxy-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323876
4-(4-methylphenyl)-2-[3-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 67533219
2-naphthalen-2-yl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 14919448

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 24966828) is (4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](c2ccc(-c3ccccc3)cc2)CO1.
What is the InChIKey of (4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is VXPAHLKILGDCAD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14N2O/c16-15-17-14(10-18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14H,10H2,(H2,16,17)/t14-/m1/s1.
What are the key properties of (4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 238.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 24966828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).