N,3,4-trimethyl-N-propan-2-yl-1,2-oxazol-5-amine

C9H16N2O — CID 122645137

IUPACN,3,4-trimethyl-N-propan-2-yl-1,2-oxazol-5-amine
SMILESCc1noc(N(C)C(C)C)c1C
InChIInChI=1S/C9H16N2O/c1-6(2)11(5)9-7(3)8(4)10-12-9/h6H,1-5H3
InChIKeyIPXWAQWFVGYVQO-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.14
Rot. Bonds2

About N,3,4-trimethyl-N-propan-2-yl-1,2-oxazol-5-amine

N,3,4-trimethyl-N-propan-2-yl-1,2-oxazol-5-amine (PubChem CID 122645137) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N,3,4-trimethyl-N-propan-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound NameN,3,4-trimethyl-N-propan-2-yl-1,2-oxazol-5-amine
PubChem CID122645137
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN,3,4-trimethyl-N-propan-2-yl-1,2-oxazol-5-amine
SMILESCc1noc(N(C)C(C)C)c1C
InChIInChI=1S/C9H16N2O/c1-6(2)11(5)9-7(3)8(4)10-12-9/h6H,1-5H3
InChIKeyIPXWAQWFVGYVQO-UHFFFAOYSA-N
XLogP2.14
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3,4-trimethyl-N-propan-2-yl-1,2-oxazol-5-amine?
The IUPAC name of N,3,4-trimethyl-N-propan-2-yl-1,2-oxazol-5-amine (CID 122645137) is N,3,4-trimethyl-N-propan-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for N,3,4-trimethyl-N-propan-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for N,3,4-trimethyl-N-propan-2-yl-1,2-oxazol-5-amine is Cc1noc(N(C)C(C)C)c1C.
What is the InChIKey of N,3,4-trimethyl-N-propan-2-yl-1,2-oxazol-5-amine?
The InChIKey is IPXWAQWFVGYVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6(2)11(5)9-7(3)8(4)10-12-9/h6H,1-5H3.
What are the key properties of N,3,4-trimethyl-N-propan-2-yl-1,2-oxazol-5-amine?
N,3,4-trimethyl-N-propan-2-yl-1,2-oxazol-5-amine has a molecular weight of 168.24 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4-trimethyl-N-propan-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 122645137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).