(3S)-1-cyclohexyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyrrolidin-3-amine

C16H27N3O — CID 164639573

IUPAC(3S)-1-cyclohexyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyrrolidin-3-amine
SMILESCc1nc(C)c(CN[C@H]2CCN(C3CCCCC3)C2)o1
InChIInChI=1S/C16H27N3O/c1-12-16(20-13(2)18-12)10-17-14-8-9-19(11-14)15-6-4-3-5-7-15/h14-15,17H,3-11H2,1-2H3/t14-/m0/s1
InChIKeyDIXMXTIYHSVHKT-AWEZNQCLSA-N
MW277.41 g/mol
LogP2.79
Rot. Bonds4

About (3S)-1-cyclohexyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyrrolidin-3-amine

(3S)-1-cyclohexyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyrrolidin-3-amine (PubChem CID 164639573) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is (3S)-1-cyclohexyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-cyclohexyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyrrolidin-3-amine
PubChem CID164639573
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name(3S)-1-cyclohexyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyrrolidin-3-amine
SMILESCc1nc(C)c(CN[C@H]2CCN(C3CCCCC3)C2)o1
InChIInChI=1S/C16H27N3O/c1-12-16(20-13(2)18-12)10-17-14-8-9-19(11-14)15-6-4-3-5-7-15/h14-15,17H,3-11H2,1-2H3/t14-/m0/s1
InChIKeyDIXMXTIYHSVHKT-AWEZNQCLSA-N
XLogP2.79
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclohexyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-cyclohexyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyrrolidin-3-amine (CID 164639573) is (3S)-1-cyclohexyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-cyclohexyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-cyclohexyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyrrolidin-3-amine is Cc1nc(C)c(CN[C@H]2CCN(C3CCCCC3)C2)o1.
What is the InChIKey of (3S)-1-cyclohexyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyrrolidin-3-amine?
The InChIKey is DIXMXTIYHSVHKT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12-16(20-13(2)18-12)10-17-14-8-9-19(11-14)15-6-4-3-5-7-15/h14-15,17H,3-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-1-cyclohexyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyrrolidin-3-amine?
(3S)-1-cyclohexyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyrrolidin-3-amine has a molecular weight of 277.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclohexyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 164639573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).