N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine

C17H22N2O2 — CID 78953381

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1ccccc1C1CC(NCc2c(C)noc2C)C1
InChIInChI=1S/C17H22N2O2/c1-11-16(12(2)21-19-11)10-18-14-8-13(9-14)15-6-4-5-7-17(15)20-3/h4-7,13-14,18H,8-10H2,1-3H3
InChIKeyYYUJFERHRZJBRX-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.34
Rot. Bonds5

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine (PubChem CID 78953381) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
PubChem CID78953381
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1ccccc1C1CC(NCc2c(C)noc2C)C1
InChIInChI=1S/C17H22N2O2/c1-11-16(12(2)21-19-11)10-18-14-8-13(9-14)15-6-4-5-7-17(15)20-3/h4-7,13-14,18H,8-10H2,1-3H3
InChIKeyYYUJFERHRZJBRX-UHFFFAOYSA-N
XLogP3.34
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632771
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43633599
N-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 60779337
2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol
CID 115619481
N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632427
3-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
CID 61042870
N-(2-methoxyethyl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632651
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625283
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64738720
cis-(1S,3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylcyclopentan-1-amine
CID 97039099
1-cyclopropyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]ethanol
CID 63295043
2-[[3-(2-methoxyphenyl)cyclobutyl]amino]-N,N-dimethylacetamide
CID 43635304

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine (CID 78953381) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine is COc1ccccc1C1CC(NCc2c(C)noc2C)C1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine?
The InChIKey is YYUJFERHRZJBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-16(12(2)21-19-11)10-18-14-8-13(9-14)15-6-4-5-7-17(15)20-3/h4-7,13-14,18H,8-10H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine has a molecular weight of 286.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine is sourced from PubChem (CID 78953381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).