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

C7H12N2O — CID 54594018

IUPAC(5-propan-2-yl-1,3-oxazol-2-yl)methanamine
SMILESCC(C)c1cnc(CN)o1
InChIInChI=1S/C7H12N2O/c1-5(2)6-4-9-7(3-8)10-6/h4-5H,3,8H2,1-2H3
InChIKeyPSQPSAHNRDTZON-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.26
Rot. Bonds2

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

(5-propan-2-yl-1,3-oxazol-2-yl)methanamine (PubChem CID 54594018) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (5-propan-2-yl-1,3-oxazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-propan-2-yl-1,3-oxazol-2-yl)methanamine
PubChem CID54594018
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(5-propan-2-yl-1,3-oxazol-2-yl)methanamine
SMILESCC(C)c1cnc(CN)o1
InChIInChI=1S/C7H12N2O/c1-5(2)6-4-9-7(3-8)10-6/h4-5H,3,8H2,1-2H3
InChIKeyPSQPSAHNRDTZON-UHFFFAOYSA-N
XLogP1.26
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yl-1,3-oxazol-2-yl)methanamine?
The IUPAC name of (5-propan-2-yl-1,3-oxazol-2-yl)methanamine (CID 54594018) is (5-propan-2-yl-1,3-oxazol-2-yl)methanamine.
What is the SMILES notation for (5-propan-2-yl-1,3-oxazol-2-yl)methanamine?
The canonical SMILES for (5-propan-2-yl-1,3-oxazol-2-yl)methanamine is CC(C)c1cnc(CN)o1.
What is the InChIKey of (5-propan-2-yl-1,3-oxazol-2-yl)methanamine?
The InChIKey is PSQPSAHNRDTZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5(2)6-4-9-7(3-8)10-6/h4-5H,3,8H2,1-2H3.
What are the key properties of (5-propan-2-yl-1,3-oxazol-2-yl)methanamine?
(5-propan-2-yl-1,3-oxazol-2-yl)methanamine has a molecular weight of 140.19 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yl-1,3-oxazol-2-yl)methanamine is sourced from PubChem (CID 54594018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).