N-methyl-1-(2-propyl-1,3-oxazol-5-yl)ethanamine

C9H16N2O — CID 115087026

IUPACN-methyl-1-(2-propyl-1,3-oxazol-5-yl)ethanamine
SMILESCCCc1ncc(C(C)NC)o1
InChIInChI=1S/C9H16N2O/c1-4-5-9-11-6-8(12-9)7(2)10-3/h6-7,10H,4-5H2,1-3H3
InChIKeyHBTDPNMLNSNHOY-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.91
Rot. Bonds4

About N-methyl-1-(2-propyl-1,3-oxazol-5-yl)ethanamine

N-methyl-1-(2-propyl-1,3-oxazol-5-yl)ethanamine (PubChem CID 115087026) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-methyl-1-(2-propyl-1,3-oxazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-propyl-1,3-oxazol-5-yl)ethanamine
PubChem CID115087026
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-methyl-1-(2-propyl-1,3-oxazol-5-yl)ethanamine
SMILESCCCc1ncc(C(C)NC)o1
InChIInChI=1S/C9H16N2O/c1-4-5-9-11-6-8(12-9)7(2)10-3/h6-7,10H,4-5H2,1-3H3
InChIKeyHBTDPNMLNSNHOY-UHFFFAOYSA-N
XLogP1.91
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115085273
N-methyl-1-[2-(oxan-2-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115086199
N-[2-(5-pentan-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 65183412
(1R)-N-methyl-1-(5-propylfuran-2-yl)ethanamine
CID 55276658
2-(5-pentan-2-yl-1,3-oxazol-2-yl)ethanamine
CID 65179243
N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115086366
1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-oxazol-5-yl]-N-methylethanamine
CID 115086201
5-(bromomethyl)-2-propyl-1,3-oxazole
CID 165441984
2-(2-chloroethyl)-5-propan-2-yl-1,3-oxazole
CID 65180225
N-[[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 104522610
N-methyl-3-[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 104522638
2-methyl-N-[2-(5-propyl-1,3-oxazol-2-yl)ethyl]propan-2-amine
CID 65182161

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propyl-1,3-oxazol-5-yl)ethanamine?
The IUPAC name of N-methyl-1-(2-propyl-1,3-oxazol-5-yl)ethanamine (CID 115087026) is N-methyl-1-(2-propyl-1,3-oxazol-5-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(2-propyl-1,3-oxazol-5-yl)ethanamine?
The canonical SMILES for N-methyl-1-(2-propyl-1,3-oxazol-5-yl)ethanamine is CCCc1ncc(C(C)NC)o1.
What is the InChIKey of N-methyl-1-(2-propyl-1,3-oxazol-5-yl)ethanamine?
The InChIKey is HBTDPNMLNSNHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-5-9-11-6-8(12-9)7(2)10-3/h6-7,10H,4-5H2,1-3H3.
What are the key properties of N-methyl-1-(2-propyl-1,3-oxazol-5-yl)ethanamine?
N-methyl-1-(2-propyl-1,3-oxazol-5-yl)ethanamine has a molecular weight of 168.24 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propyl-1,3-oxazol-5-yl)ethanamine is sourced from PubChem (CID 115087026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).