N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-2-amine

C9H16N2O — CID 130891221

IUPACN-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-2-amine
SMILESCc1cc(C(C)NC(C)C)no1
InChIInChI=1S/C9H16N2O/c1-6(2)10-8(4)9-5-7(3)12-11-9/h5-6,8,10H,1-4H3
InChIKeyHONONZWFKFWQIL-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.04
Rot. Bonds3

About N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-2-amine

N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-2-amine (PubChem CID 130891221) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-2-amine
PubChem CID130891221
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-2-amine
SMILESCc1cc(C(C)NC(C)C)no1
InChIInChI=1S/C9H16N2O/c1-6(2)10-8(4)9-5-7(3)12-11-9/h5-6,8,10H,1-4H3
InChIKeyHONONZWFKFWQIL-UHFFFAOYSA-N
XLogP2.04
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]methanesulfonamide
CID 126987427
N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]prop-2-yn-1-amine
CID 131131589
3-(1-iodoethyl)-5-methyl-1,2-oxazole
CID 122594172
3-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)propanoic acid
CID 83835219
N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]oxetan-3-amine
CID 131203679
N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]thietan-3-amine
CID 130621345
2-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]cyclobutan-1-amine
CID 130644760
N-methyl-2-(5-methyl-1,2-oxazol-3-yl)propan-1-amine
CID 83826432
5-methyl-3-(2-methylpentan-3-yl)-1,2-oxazole
CID 166844258
2-methoxy-N-methyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine
CID 83827182
(1S)-1-(5-methyl-1,2-oxazol-3-yl)propane-1,3-diol
CID 142479631
2-amino-2-(5-methyl-1,2-oxazol-3-yl)ethanol
CID 82417979

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-2-amine?
The IUPAC name of N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-2-amine (CID 130891221) is N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-2-amine is Cc1cc(C(C)NC(C)C)no1.
What is the InChIKey of N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-2-amine?
The InChIKey is HONONZWFKFWQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6(2)10-8(4)9-5-7(3)12-11-9/h5-6,8,10H,1-4H3.
What are the key properties of N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-2-amine?
N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-2-amine has a molecular weight of 168.24 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 130891221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).