(2S)-2-[(4-cyclohexylphenoxy)methyl]-6-propan-2-yl-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine

C22H30N2O2 — CID 141219150

IUPAC(2S)-2-[(4-cyclohexylphenoxy)methyl]-6-propan-2-yl-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine
SMILESCC(C)C1=CN=C2O[C@H](COc3ccc(C4CCCCC4)cc3)CN2C1
InChIInChI=1S/C22H30N2O2/c1-16(2)19-12-23-22-24(13-19)14-21(26-22)15-25-20-10-8-18(9-11-20)17-6-4-3-5-7-17/h8-12,16-17,21H,3-7,13-15H2,1-2H3/t21-/m0/s1
InChIKeyWAFMEXVCSXBUFO-NRFANRHFSA-N
MW354.49 g/mol
LogP4.72
Rot. Bonds5

About (2S)-2-[(4-cyclohexylphenoxy)methyl]-6-propan-2-yl-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine

(2S)-2-[(4-cyclohexylphenoxy)methyl]-6-propan-2-yl-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine (PubChem CID 141219150) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is (2S)-2-[(4-cyclohexylphenoxy)methyl]-6-propan-2-yl-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine.

Molecular Properties

Compound Name(2S)-2-[(4-cyclohexylphenoxy)methyl]-6-propan-2-yl-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine
PubChem CID141219150
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name(2S)-2-[(4-cyclohexylphenoxy)methyl]-6-propan-2-yl-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine
SMILESCC(C)C1=CN=C2O[C@H](COc3ccc(C4CCCCC4)cc3)CN2C1
InChIInChI=1S/C22H30N2O2/c1-16(2)19-12-23-22-24(13-19)14-21(26-22)15-25-20-10-8-18(9-11-20)17-6-4-3-5-7-17/h8-12,16-17,21H,3-7,13-15H2,1-2H3/t21-/m0/s1
InChIKeyWAFMEXVCSXBUFO-NRFANRHFSA-N
XLogP4.72
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-cyclohexylphenoxy)methyl]-6-propan-2-yl-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine?
The IUPAC name of (2S)-2-[(4-cyclohexylphenoxy)methyl]-6-propan-2-yl-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine (CID 141219150) is (2S)-2-[(4-cyclohexylphenoxy)methyl]-6-propan-2-yl-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine.
What is the SMILES notation for (2S)-2-[(4-cyclohexylphenoxy)methyl]-6-propan-2-yl-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine?
The canonical SMILES for (2S)-2-[(4-cyclohexylphenoxy)methyl]-6-propan-2-yl-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine is CC(C)C1=CN=C2O[C@H](COc3ccc(C4CCCCC4)cc3)CN2C1.
What is the InChIKey of (2S)-2-[(4-cyclohexylphenoxy)methyl]-6-propan-2-yl-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine?
The InChIKey is WAFMEXVCSXBUFO-NRFANRHFSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-16(2)19-12-23-22-24(13-19)14-21(26-22)15-25-20-10-8-18(9-11-20)17-6-4-3-5-7-17/h8-12,16-17,21H,3-7,13-15H2,1-2H3/t21-/m0/s1.
What are the key properties of (2S)-2-[(4-cyclohexylphenoxy)methyl]-6-propan-2-yl-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine?
(2S)-2-[(4-cyclohexylphenoxy)methyl]-6-propan-2-yl-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine has a molecular weight of 354.49 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-cyclohexylphenoxy)methyl]-6-propan-2-yl-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine is sourced from PubChem (CID 141219150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).