(4S)-2-(2-phenylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C14H19NO — CID 13435839

IUPAC(4S)-2-(2-phenylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(CCc2ccccc2)=N1
InChIInChI=1S/C14H19NO/c1-11(2)13-10-16-14(15-13)9-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m1/s1
InChIKeyKXZCHMNRDHXIHN-CYBMUJFWSA-N
MW217.31 g/mol
LogP3.07
Rot. Bonds4

About (4S)-2-(2-phenylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

(4S)-2-(2-phenylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 13435839) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (4S)-2-(2-phenylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-(2-phenylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID13435839
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(4S)-2-(2-phenylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(CCc2ccccc2)=N1
InChIInChI=1S/C14H19NO/c1-11(2)13-10-16-14(15-13)9-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m1/s1
InChIKeyKXZCHMNRDHXIHN-CYBMUJFWSA-N
XLogP3.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2-phenylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-(2-phenylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 13435839) is (4S)-2-(2-phenylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-(2-phenylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-(2-phenylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(CCc2ccccc2)=N1.
What is the InChIKey of (4S)-2-(2-phenylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is KXZCHMNRDHXIHN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO/c1-11(2)13-10-16-14(15-13)9-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (4S)-2-(2-phenylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-(2-phenylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 217.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2-phenylethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 13435839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).