N-(1-cyclopropylethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine

C16H20N2OS — CID 86983852

IUPACN-(1-cyclopropylethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine
SMILESCC(C1CC1)N(Cc1coc(-c2cccs2)n1)C1CC1
InChIInChI=1S/C16H20N2OS/c1-11(12-4-5-12)18(14-6-7-14)9-13-10-19-16(17-13)15-3-2-8-20-15/h2-3,8,10-12,14H,4-7,9H2,1H3
InChIKeyCOMPYPLDXGQWRZ-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.17
Rot. Bonds6

About N-(1-cyclopropylethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine

N-(1-cyclopropylethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine (PubChem CID 86983852) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine
PubChem CID86983852
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-(1-cyclopropylethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine
SMILESCC(C1CC1)N(Cc1coc(-c2cccs2)n1)C1CC1
InChIInChI=1S/C16H20N2OS/c1-11(12-4-5-12)18(14-6-7-14)9-13-10-19-16(17-13)15-3-2-8-20-15/h2-3,8,10-12,14H,4-7,9H2,1H3
InChIKeyCOMPYPLDXGQWRZ-UHFFFAOYSA-N
XLogP4.17
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(1-cyclopropylethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine with MolForge

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Launch Full Analysis

Related Compounds

N-(pyridin-2-ylmethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine
CID 126787573
N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
CID 60806481
N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-amine
CID 66213906
1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920709
N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 62686633
N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
CID 63637158
2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684356
4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531
4-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]butanoic acid
CID 55006274
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
CID 103705810
N-(2-amino-1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 119613142
1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea
CID 42930050

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-(1-cyclopropylethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine (CID 86983852) is N-(1-cyclopropylethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-(1-cyclopropylethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine is CC(C1CC1)N(Cc1coc(-c2cccs2)n1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine?
The InChIKey is COMPYPLDXGQWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11(12-4-5-12)18(14-6-7-14)9-13-10-19-16(17-13)15-3-2-8-20-15/h2-3,8,10-12,14H,4-7,9H2,1H3.
What are the key properties of N-(1-cyclopropylethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine?
N-(1-cyclopropylethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine has a molecular weight of 288.42 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 86983852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).