(S)-1,3-oxazol-2-yl(phenyl)methanamine

C10H10N2O — CID 96656176

IUPAC(S)-1,3-oxazol-2-yl(phenyl)methanamine
SMILESN[C@@H](c1ccccc1)c1ncco1
InChIInChI=1S/C10H10N2O/c11-9(10-12-6-7-13-10)8-4-2-1-3-5-8/h1-7,9H,11H2/t9-/m0/s1
InChIKeyPNTDTPUECVLIQT-VIFPVBQESA-N
MW174.20 g/mol
LogP1.72
Rot. Bonds2

About (S)-1,3-oxazol-2-yl(phenyl)methanamine

(S)-1,3-oxazol-2-yl(phenyl)methanamine (PubChem CID 96656176) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is (S)-1,3-oxazol-2-yl(phenyl)methanamine.

Molecular Properties

Compound Name(S)-1,3-oxazol-2-yl(phenyl)methanamine
PubChem CID96656176
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name(S)-1,3-oxazol-2-yl(phenyl)methanamine
SMILESN[C@@H](c1ccccc1)c1ncco1
InChIInChI=1S/C10H10N2O/c11-9(10-12-6-7-13-10)8-4-2-1-3-5-8/h1-7,9H,11H2/t9-/m0/s1
InChIKeyPNTDTPUECVLIQT-VIFPVBQESA-N
XLogP1.72
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluorophenyl)-(1,3-oxazol-2-yl)methanamine
CID 164552922
2-[nitro(phenyl)methyl]-1,3-oxazole
CID 162439597
2-amino-1-(1,3-oxazol-2-yl)-3-phenylpropan-1-ol
CID 22284675
(1S)-1-(1,3-oxazol-2-yl)ethanamine
CID 28924825
1-(1,3-oxazol-2-yl)-4-phenylbutan-1-amine
CID 166554301
phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449
(4-methyl-3-pyridinyl)-(1,3-oxazol-2-yl)methanamine
CID 82404635
(R)-1,3-oxazol-5-yl(phenyl)methanamine
CID 104941371
4-[amino(phenyl)methyl]pyrimidin-2-amine
CID 112708629
phenyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 43109480
2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-amine
CID 82416552
ethyl 2-(1,3-oxazol-2-yl)-5-phenylhexanoate
CID 69006801

Frequently Asked Questions

What is the IUPAC name of (S)-1,3-oxazol-2-yl(phenyl)methanamine?
The IUPAC name of (S)-1,3-oxazol-2-yl(phenyl)methanamine (CID 96656176) is (S)-1,3-oxazol-2-yl(phenyl)methanamine.
What is the SMILES notation for (S)-1,3-oxazol-2-yl(phenyl)methanamine?
The canonical SMILES for (S)-1,3-oxazol-2-yl(phenyl)methanamine is N[C@@H](c1ccccc1)c1ncco1.
What is the InChIKey of (S)-1,3-oxazol-2-yl(phenyl)methanamine?
The InChIKey is PNTDTPUECVLIQT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10N2O/c11-9(10-12-6-7-13-10)8-4-2-1-3-5-8/h1-7,9H,11H2/t9-/m0/s1.
What are the key properties of (S)-1,3-oxazol-2-yl(phenyl)methanamine?
(S)-1,3-oxazol-2-yl(phenyl)methanamine has a molecular weight of 174.20 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-1,3-oxazol-2-yl(phenyl)methanamine is sourced from PubChem (CID 96656176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).