2-(cyclopropylmethyl)-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine

C13H18N2OS — CID 141063458

IUPAC2-(cyclopropylmethyl)-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESCCc1ccc(C2C=C(N)ON2CC2CC2)s1
InChIInChI=1S/C13H18N2OS/c1-2-10-5-6-12(17-10)11-7-13(14)16-15(11)8-9-3-4-9/h5-7,9,11H,2-4,8,14H2,1H3
InChIKeyNLRFILOFDNJAGD-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.81
Rot. Bonds4

About 2-(cyclopropylmethyl)-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine

2-(cyclopropylmethyl)-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063458) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063458
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-(cyclopropylmethyl)-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESCCc1ccc(C2C=C(N)ON2CC2CC2)s1
InChIInChI=1S/C13H18N2OS/c1-2-10-5-6-12(17-10)11-7-13(14)16-15(11)8-9-3-4-9/h5-7,9,11H,2-4,8,14H2,1H3
InChIKeyNLRFILOFDNJAGD-UHFFFAOYSA-N
XLogP2.81
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 2-(cyclopropylmethyl)-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine (CID 141063458) is 2-(cyclopropylmethyl)-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 2-(cyclopropylmethyl)-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 2-(cyclopropylmethyl)-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine is CCc1ccc(C2C=C(N)ON2CC2CC2)s1.
What is the InChIKey of 2-(cyclopropylmethyl)-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is NLRFILOFDNJAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-2-10-5-6-12(17-10)11-7-13(14)16-15(11)8-9-3-4-9/h5-7,9,11H,2-4,8,14H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
2-(cyclopropylmethyl)-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 250.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).