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

C13H17N3OS — CID 81491549

IUPAC(3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCc1oc(-c2cccs2)nc1CN1CC[C@H](N)C1
InChIInChI=1S/C13H17N3OS/c1-9-11(8-16-5-4-10(14)7-16)15-13(17-9)12-3-2-6-18-12/h2-3,6,10H,4-5,7-8,14H2,1H3/t10-/m0/s1
InChIKeyCDCWEWJAFZUZJZ-JTQLQIEISA-N
MW263.37 g/mol
LogP2.24
Rot. Bonds3

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

(3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 81491549) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is (3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine
PubChem CID81491549
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name(3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCc1oc(-c2cccs2)nc1CN1CC[C@H](N)C1
InChIInChI=1S/C13H17N3OS/c1-9-11(8-16-5-4-10(14)7-16)15-13(17-9)12-3-2-6-18-12/h2-3,6,10H,4-5,7-8,14H2,1H3/t10-/m0/s1
InChIKeyCDCWEWJAFZUZJZ-JTQLQIEISA-N
XLogP2.24
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-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

3-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
CID 79868555
4-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 42382192
5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
CID 65448292
N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928180
(2R,6S)-2,6-dimethyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine
CID 26384790
4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 42379670
4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 77097380
N,N-diethyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 45202856
2-[(2S)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 30725006
N-cyclohexyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 20860021
5-methyl-2-thiophen-2-yl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole
CID 30238946
5-methyl-2-thiophen-2-yl-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole
CID 30238949

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine (CID 81491549) is (3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine is Cc1oc(-c2cccs2)nc1CN1CC[C@H](N)C1.
What is the InChIKey of (3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is CDCWEWJAFZUZJZ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9-11(8-16-5-4-10(14)7-16)15-13(17-9)12-3-2-6-18-12/h2-3,6,10H,4-5,7-8,14H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine?
(3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 263.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 81491549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).