N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine

C15H25N3O — CID 79549657

IUPACN-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
SMILESCc1cc(CNC2CCCCC2C2CCCN2)on1
InChIInChI=1S/C15H25N3O/c1-11-9-12(19-18-11)10-17-15-6-3-2-5-13(15)14-7-4-8-16-14/h9,13-17H,2-8,10H2,1H3
InChIKeyGHOGAIXYGRDZGP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.38
Rot. Bonds4

About N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine (PubChem CID 79549657) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
PubChem CID79549657
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
SMILESCc1cc(CNC2CCCCC2C2CCCN2)on1
InChIInChI=1S/C15H25N3O/c1-11-9-12(19-18-11)10-17-15-6-3-2-5-13(15)14-7-4-8-16-14/h9,13-17H,2-8,10H2,1H3
InChIKeyGHOGAIXYGRDZGP-UHFFFAOYSA-N
XLogP2.38
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79545774
N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 106414949
N-(1,2,4-oxadiazol-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 106393192
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine
CID 60712181
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 106413636
2-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine
CID 115717519
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79545102
N-[(4-ethylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 106899423
2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]oxan-3-amine
CID 126857076
N-[(1-methylpyrazol-4-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79544285
N-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79545849
N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79536668

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine?
The IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine (CID 79549657) is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine is Cc1cc(CNC2CCCCC2C2CCCN2)on1.
What is the InChIKey of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine?
The InChIKey is GHOGAIXYGRDZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-9-12(19-18-11)10-17-15-6-3-2-5-13(15)14-7-4-8-16-14/h9,13-17H,2-8,10H2,1H3.
What are the key properties of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine?
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine is sourced from PubChem (CID 79549657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).