(1R,4S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine

C16H26N2O — CID 106370684

IUPAC(1R,4S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCc1nc(CNC2C(C)(C)[C@H]3CC[C@]2(C)C3)oc1C
InChIInChI=1S/C16H26N2O/c1-10-11(2)19-13(18-10)9-17-14-15(3,4)12-6-7-16(14,5)8-12/h12,14,17H,6-9H2,1-5H3/t12-,14?,16+/m0/s1
InChIKeyZWCMOMWSPLQXHQ-RAAOQPIXSA-N
MW262.40 g/mol
LogP3.60
Rot. Bonds3

About (1R,4S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine

(1R,4S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 106370684) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (1R,4S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,4S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID106370684
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(1R,4S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCc1nc(CNC2C(C)(C)[C@H]3CC[C@]2(C)C3)oc1C
InChIInChI=1S/C16H26N2O/c1-10-11(2)19-13(18-10)9-17-14-15(3,4)12-6-7-16(14,5)8-12/h12,14,17H,6-9H2,1-5H3/t12-,14?,16+/m0/s1
InChIKeyZWCMOMWSPLQXHQ-RAAOQPIXSA-N
XLogP3.60
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,4S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine (CID 106370684) is (1R,4S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,4S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,4S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine is Cc1nc(CNC2C(C)(C)[C@H]3CC[C@]2(C)C3)oc1C.
What is the InChIKey of (1R,4S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is ZWCMOMWSPLQXHQ-RAAOQPIXSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10-11(2)19-13(18-10)9-17-14-15(3,4)12-6-7-16(14,5)8-12/h12,14,17H,6-9H2,1-5H3/t12-,14?,16+/m0/s1.
What are the key properties of (1R,4S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
(1R,4S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 106370684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).