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

C14H22N6O — CID 154761741

IUPAC(3R,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N,N-dimethyl-4-(triazol-1-yl)pyrrolidin-3-amine
SMILESCc1nc(CN2C[C@@H](N(C)C)[C@@H](n3ccnn3)C2)oc1C
InChIInChI=1S/C14H22N6O/c1-10-11(2)21-14(16-10)9-19-7-12(18(3)4)13(8-19)20-6-5-15-17-20/h5-6,12-13H,7-9H2,1-4H3/t12-,13+/m1/s1
InChIKeyVCWZPKVSXYSGRN-OLZOCXBDSA-N
MW290.37 g/mol
LogP0.87
Rot. Bonds4

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

(3R,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N,N-dimethyl-4-(triazol-1-yl)pyrrolidin-3-amine (PubChem CID 154761741) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is (3R,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N,N-dimethyl-4-(triazol-1-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N,N-dimethyl-4-(triazol-1-yl)pyrrolidin-3-amine
PubChem CID154761741
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name(3R,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N,N-dimethyl-4-(triazol-1-yl)pyrrolidin-3-amine
SMILESCc1nc(CN2C[C@@H](N(C)C)[C@@H](n3ccnn3)C2)oc1C
InChIInChI=1S/C14H22N6O/c1-10-11(2)21-14(16-10)9-19-7-12(18(3)4)13(8-19)20-6-5-15-17-20/h5-6,12-13H,7-9H2,1-4H3/t12-,13+/m1/s1
InChIKeyVCWZPKVSXYSGRN-OLZOCXBDSA-N
XLogP0.87
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3R,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N,N-dimethyl-4-(triazol-1-yl)pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N,N-dimethyl-4-(triazol-1-yl)pyrrolidin-3-amine?
The IUPAC name of (3R,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N,N-dimethyl-4-(triazol-1-yl)pyrrolidin-3-amine (CID 154761741) is (3R,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N,N-dimethyl-4-(triazol-1-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N,N-dimethyl-4-(triazol-1-yl)pyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N,N-dimethyl-4-(triazol-1-yl)pyrrolidin-3-amine is Cc1nc(CN2C[C@@H](N(C)C)[C@@H](n3ccnn3)C2)oc1C.
What is the InChIKey of (3R,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N,N-dimethyl-4-(triazol-1-yl)pyrrolidin-3-amine?
The InChIKey is VCWZPKVSXYSGRN-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H22N6O/c1-10-11(2)21-14(16-10)9-19-7-12(18(3)4)13(8-19)20-6-5-15-17-20/h5-6,12-13H,7-9H2,1-4H3/t12-,13+/m1/s1.
What are the key properties of (3R,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N,N-dimethyl-4-(triazol-1-yl)pyrrolidin-3-amine?
(3R,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N,N-dimethyl-4-(triazol-1-yl)pyrrolidin-3-amine has a molecular weight of 290.37 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N,N-dimethyl-4-(triazol-1-yl)pyrrolidin-3-amine is sourced from PubChem (CID 154761741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).