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

C17H29N3O2 — CID 96512243

IUPAC(3S)-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCC(C)c1cnc(CN(C)[C@H]2CCN(C[C@@H]3CCOC3)C2)o1
InChIInChI=1S/C17H29N3O2/c1-13(2)16-8-18-17(22-16)11-19(3)15-4-6-20(10-15)9-14-5-7-21-12-14/h8,13-15H,4-7,9-12H2,1-3H3/t14-,15-/m0/s1
InChIKeyXBSNCQQVOCCXSR-GJZGRUSLSA-N
MW307.44 g/mol
LogP2.34
Rot. Bonds6

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

(3S)-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 96512243) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (3S)-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
PubChem CID96512243
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(3S)-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCC(C)c1cnc(CN(C)[C@H]2CCN(C[C@@H]3CCOC3)C2)o1
InChIInChI=1S/C17H29N3O2/c1-13(2)16-8-18-17(22-16)11-19(3)15-4-6-20(10-15)9-14-5-7-21-12-14/h8,13-15H,4-7,9-12H2,1-3H3/t14-,15-/m0/s1
InChIKeyXBSNCQQVOCCXSR-GJZGRUSLSA-N
XLogP2.34
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]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

Related Compounds

2-[[3-[methyl-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile
CID 71871797
2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 97008154
2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(oxolan-3-ylmethyl)acetamide
CID 71872578
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine
CID 95901063
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
CID 95901064
2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 154749212
N-methyl-N-[[7-(oxolan-3-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]propan-2-amine
CID 131658058
(3S)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine
CID 97009607
(2R)-2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile
CID 97008172
4-N,6-N,6-N-trimethyl-4-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidine-4,6-diamine
CID 171993910
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115085273
5-methyl-2-[1-(oxolan-3-ylmethyl)piperidin-4-yl]oxypyridine
CID 75484483

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine (CID 96512243) is (3S)-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine is CC(C)c1cnc(CN(C)[C@H]2CCN(C[C@@H]3CCOC3)C2)o1.
What is the InChIKey of (3S)-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is XBSNCQQVOCCXSR-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-13(2)16-8-18-17(22-16)11-19(3)15-4-6-20(10-15)9-14-5-7-21-12-14/h8,13-15H,4-7,9-12H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of (3S)-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
(3S)-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 307.44 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 96512243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).