1-(5-chlorothiophen-2-yl)-N-(1,2-oxazol-3-ylmethyl)propan-1-amine

C11H13ClN2OS — CID 115726395

IUPAC1-(5-chlorothiophen-2-yl)-N-(1,2-oxazol-3-ylmethyl)propan-1-amine
SMILESCCC(NCc1ccon1)c1ccc(Cl)s1
InChIInChI=1S/C11H13ClN2OS/c1-2-9(10-3-4-11(12)16-10)13-7-8-5-6-15-14-8/h3-6,9,13H,2,7H2,1H3
InChIKeyZLUBFAOXRTXAAK-UHFFFAOYSA-N
MW256.76 g/mol
LogP3.63
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-N-(1,2-oxazol-3-ylmethyl)propan-1-amine

1-(5-chlorothiophen-2-yl)-N-(1,2-oxazol-3-ylmethyl)propan-1-amine (PubChem CID 115726395) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-(1,2-oxazol-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-(1,2-oxazol-3-ylmethyl)propan-1-amine
PubChem CID115726395
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name1-(5-chlorothiophen-2-yl)-N-(1,2-oxazol-3-ylmethyl)propan-1-amine
SMILESCCC(NCc1ccon1)c1ccc(Cl)s1
InChIInChI=1S/C11H13ClN2OS/c1-2-9(10-3-4-11(12)16-10)13-7-8-5-6-15-14-8/h3-6,9,13H,2,7H2,1H3
InChIKeyZLUBFAOXRTXAAK-UHFFFAOYSA-N
XLogP3.63
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-oxazol-3-ylmethyl)pentan-3-amine
CID 79002535
1-(5-chlorothiophen-2-yl)-N-(2-methylsulfanylethyl)propan-1-amine
CID 115706228
1-(4-chlorophenyl)-N-(1,2-oxazol-3-ylmethyl)butan-1-amine
CID 81169865
4-bromo-2-[1-(1,2-oxazol-3-ylmethylamino)propyl]phenol
CID 81169879
1-(5-chlorothiophen-2-yl)-N-(cyclobutylmethyl)propan-1-amine
CID 115713294
N-[1-(5-chlorothiophen-2-yl)propyl]-3-methylsulfanylbutan-1-amine
CID 115716203
N-[1-(5-chlorothiophen-2-yl)propyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115726040
1-(5-chlorothiophen-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 102976657
3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine
CID 81171315
1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43492048
2-[2-[1-(5-chlorothiophen-2-yl)propylamino]ethoxy]ethanol
CID 115707270
2-(1,2-oxazol-3-ylmethylamino)butanamide
CID 79503018

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(1,2-oxazol-3-ylmethyl)propan-1-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(1,2-oxazol-3-ylmethyl)propan-1-amine (CID 115726395) is 1-(5-chlorothiophen-2-yl)-N-(1,2-oxazol-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-(1,2-oxazol-3-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-(1,2-oxazol-3-ylmethyl)propan-1-amine is CCC(NCc1ccon1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-(1,2-oxazol-3-ylmethyl)propan-1-amine?
The InChIKey is ZLUBFAOXRTXAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c1-2-9(10-3-4-11(12)16-10)13-7-8-5-6-15-14-8/h3-6,9,13H,2,7H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-(1,2-oxazol-3-ylmethyl)propan-1-amine?
1-(5-chlorothiophen-2-yl)-N-(1,2-oxazol-3-ylmethyl)propan-1-amine has a molecular weight of 256.76 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-(1,2-oxazol-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 115726395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).