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

C16H16N2O2 — CID 68711327

IUPAC(4S)-4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2ccc(OCc3ccccc3)cc2)CO1
InChIInChI=1S/C16H16N2O2/c17-16-18-15(11-20-16)13-6-8-14(9-7-13)19-10-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H2,17,18)/t15-/m1/s1
InChIKeyMDTRHXAGQTXMKT-OAHLLOKOSA-N
MW268.32 g/mol
LogP2.65
Rot. Bonds4

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

(4S)-4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 68711327) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (4S)-4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID68711327
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(4S)-4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2ccc(OCc3ccccc3)cc2)CO1
InChIInChI=1S/C16H16N2O2/c17-16-18-15(11-20-16)13-6-8-14(9-7-13)19-10-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H2,17,18)/t15-/m1/s1
InChIKeyMDTRHXAGQTXMKT-OAHLLOKOSA-N
XLogP2.65
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323741
(4R)-4-(4-phenylmethoxyphenyl)-2-[[(4R)-4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
CID 177495917
(4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966828
2-(2,6-difluorophenyl)-4-[4-(phenoxymethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 167550722
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240
4-phenylmethoxyaniline
CID 159966727
5-[4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine
CID 21357979
1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene
CID 130539986
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene
CID 125154534
2-[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]-1,3-dithiane
CID 19989566
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 68711327) is (4S)-4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](c2ccc(OCc3ccccc3)cc2)CO1.
What is the InChIKey of (4S)-4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is MDTRHXAGQTXMKT-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-16-18-15(11-20-16)13-6-8-14(9-7-13)19-10-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H2,17,18)/t15-/m1/s1.
What are the key properties of (4S)-4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 268.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 68711327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).