4-naphthalen-1-yl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine

C27H22N2O — CID 16759407

IUPAC4-naphthalen-1-yl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine
SMILESCC(Nc1oc(-c2ccccc2)nc1-c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C27H22N2O/c1-19(20-11-4-2-5-12-20)28-27-25(29-26(30-27)22-14-6-3-7-15-22)24-18-10-16-21-13-8-9-17-23(21)24/h2-19,28H,1H3
InChIKeyFXECZSDFOVIAHV-UHFFFAOYSA-N
MW390.49 g/mol
LogP7.33
Rot. Bonds5

About 4-naphthalen-1-yl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine

4-naphthalen-1-yl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine (PubChem CID 16759407) has the molecular formula C27H22N2O and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-naphthalen-1-yl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-naphthalen-1-yl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine
PubChem CID16759407
Molecular FormulaC27H22N2O
Molecular Weight390.49 g/mol
Exact Mass390.17
IUPAC Name4-naphthalen-1-yl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine
SMILESCC(Nc1oc(-c2ccccc2)nc1-c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C27H22N2O/c1-19(20-11-4-2-5-12-20)28-27-25(29-26(30-27)22-14-6-3-7-15-22)24-18-10-16-21-13-8-9-17-23(21)24/h2-19,28H,1H3
InChIKeyFXECZSDFOVIAHV-UHFFFAOYSA-N
XLogP7.33
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-naphthalen-1-yl-2-phenyl-1,3-oxazole
CID 42611623
4-(benzenesulfonyl)-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine
CID 2964757
N-(1-phenylethyl)benzo[h]azulen-1-amine
CID 140974592
N-(1-phenylethyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
CID 53008661
4-(4-chlorophenyl)sulfonyl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine
CID 18825331
N,N-diethyl-4-(4-naphthalen-1-yl-5-phenyl-1,3-oxazol-2-yl)aniline
CID 139802778
5-[3-[2-[(3-naphthalen-1-ylphenyl)-(3-phenylphenyl)methyl]phenyl]phenyl]-2-phenylbenzo[e][1,3]benzoxazole
CID 171410341
5-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
CID 35342753
2-phenyl-N-(1-phenylethyl)aniline
CID 43078706
1-[2,6-di(propan-2-yl)phenyl]-3-[4-(2-methylphenyl)-2-phenyl-1,3-oxazol-5-yl]urea
CID 67703235
N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide
CID 139917835
N-ethyl-1-(3-isoquinolin-4-ylphenyl)ethanamine
CID 63941109

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-naphthalen-1-yl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine (CID 16759407) is 4-naphthalen-1-yl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-naphthalen-1-yl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-naphthalen-1-yl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine is CC(Nc1oc(-c2ccccc2)nc1-c1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 4-naphthalen-1-yl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine?
The InChIKey is FXECZSDFOVIAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O/c1-19(20-11-4-2-5-12-20)28-27-25(29-26(30-27)22-14-6-3-7-15-22)24-18-10-16-21-13-8-9-17-23(21)24/h2-19,28H,1H3.
What are the key properties of 4-naphthalen-1-yl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine?
4-naphthalen-1-yl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine has a molecular weight of 390.49 g/mol, XLogP of 7.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 16759407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).