(1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine

C24H25ClN2O — CID 155633012

IUPAC(1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine
SMILESCc1oc(-c2ccc(Cl)cc2)nc1C1(CN[C@H]2CC2c2ccccc2)CCC1
InChIInChI=1S/C24H25ClN2O/c1-16-22(27-23(28-16)18-8-10-19(25)11-9-18)24(12-5-13-24)15-26-21-14-20(21)17-6-3-2-4-7-17/h2-4,6-11,20-21,26H,5,12-15H2,1H3/t20?,21-/m0/s1
InChIKeyDJYDFONXWSCPJY-LBAQZLPGSA-N
MW392.93 g/mol
LogP5.87
Rot. Bonds6

About (1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine

(1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine (PubChem CID 155633012) has the molecular formula C24H25ClN2O and a molecular weight of 392.93 g/mol. Its IUPAC name is (1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine
PubChem CID155633012
Molecular FormulaC24H25ClN2O
Molecular Weight392.93 g/mol
Exact Mass392.17
IUPAC Name(1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine
SMILESCc1oc(-c2ccc(Cl)cc2)nc1C1(CN[C@H]2CC2c2ccccc2)CCC1
InChIInChI=1S/C24H25ClN2O/c1-16-22(27-23(28-16)18-8-10-19(25)11-9-18)24(12-5-13-24)15-26-21-14-20(21)17-6-3-2-4-7-17/h2-4,6-11,20-21,26H,5,12-15H2,1H3/t20?,21-/m0/s1
InChIKeyDJYDFONXWSCPJY-LBAQZLPGSA-N
XLogP5.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.93
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2S)-N-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
CID 155265854
(1S)-N-[[1-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine
CID 149452538
(1S)-2-phenyl-N-[[1-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]cyclopropan-1-amine
CID 155266113
trans-(1S,2R)-N-[[1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine
CID 155266648
N-[[1-[5-(1,3-benzothiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine
CID 155265813
trans-(1R,2S)-N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
CID 155266287
4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 149184068
4-fluoro-N-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclohexan-1-amine
CID 137422559
1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropane-1-carbonitrile
CID 146311217
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine
CID 64540999
N-[(3-methylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine
CID 63133645
trans-(1R,2S)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
CID 118290144

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of (1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine (CID 155633012) is (1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for (1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for (1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine is Cc1oc(-c2ccc(Cl)cc2)nc1C1(CN[C@H]2CC2c2ccccc2)CCC1.
What is the InChIKey of (1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is DJYDFONXWSCPJY-LBAQZLPGSA-N. The full InChI is InChI=1S/C24H25ClN2O/c1-16-22(27-23(28-16)18-8-10-19(25)11-9-18)24(12-5-13-24)15-26-21-14-20(21)17-6-3-2-4-7-17/h2-4,6-11,20-21,26H,5,12-15H2,1H3/t20?,21-/m0/s1.
What are the key properties of (1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine?
(1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 392.93 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 155633012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).