(3-propyl-1,2-oxazol-5-yl)methanamine

C7H12N2O — CID 6484232

IUPAC(3-propyl-1,2-oxazol-5-yl)methanamine
SMILESCCCc1cc(CN)on1
InChIInChI=1S/C7H12N2O/c1-2-3-6-4-7(5-8)10-9-6/h4H,2-3,5,8H2,1H3
InChIKeyTZCRWPITAFJCIG-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.09
Rot. Bonds3

About (3-propyl-1,2-oxazol-5-yl)methanamine

(3-propyl-1,2-oxazol-5-yl)methanamine (PubChem CID 6484232) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (3-propyl-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-propyl-1,2-oxazol-5-yl)methanamine
PubChem CID6484232
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(3-propyl-1,2-oxazol-5-yl)methanamine
SMILESCCCc1cc(CN)on1
InChIInChI=1S/C7H12N2O/c1-2-3-6-4-7(5-8)10-9-6/h4H,2-3,5,8H2,1H3
InChIKeyTZCRWPITAFJCIG-UHFFFAOYSA-N
XLogP1.09
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Methylisoxazol-5-yl)methanamine
CID 16481072
(S)-3-Methyl-5-(pyrrolidin-2-yl)isoxazole
CID 10057702
(R)-3-Methyl-5-(pyrrolidin-2-yl)isoxazole
CID 10130056
(2S)-2-[3-Ethylisoxazol-5-yl]pyrrolidine
CID 10261449
(R)-3-Ethyl-5-(pyrrolidin-2-yl)isoxazole
CID 10352051
1-(5-Methyl-1,2-oxazol-3-yl)methanamine
CID 2776306
3-Propyl-1,2-oxazol-5-amine
CID 2104061
(3-Ethyl-1,2-oxazol-5-yl)methanamine
CID 6483891
[3-(Propan-2-yl)-1,2-oxazol-5-yl]methanamine
CID 6483898
3-Methyl-5-(pyrrolidin-2-yl)-1,2-oxazole
CID 15186065
N-Methyl-3-(1-methylethyl)-5-isoxazolemethanamine
CID 25220772
3-butyl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole
CID 44359141

Frequently Asked Questions

What is the IUPAC name of (3-propyl-1,2-oxazol-5-yl)methanamine?
The IUPAC name of (3-propyl-1,2-oxazol-5-yl)methanamine (CID 6484232) is (3-propyl-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for (3-propyl-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for (3-propyl-1,2-oxazol-5-yl)methanamine is CCCc1cc(CN)on1.
What is the InChIKey of (3-propyl-1,2-oxazol-5-yl)methanamine?
The InChIKey is TZCRWPITAFJCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-3-6-4-7(5-8)10-9-6/h4H,2-3,5,8H2,1H3.
What are the key properties of (3-propyl-1,2-oxazol-5-yl)methanamine?
(3-propyl-1,2-oxazol-5-yl)methanamine has a molecular weight of 140.19 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyl-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 6484232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).