5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide

C8H12N2O2 — CID 1477707

IUPAC5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NC(C)C
InChIInChI=1S/C8H12N2O2/c1-5(2)10-8(11)7-4-9-12-6(7)3/h4-5H,1-3H3,(H,10,11)
InChIKeyGHXSQQTYJFWUBP-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.12
Rot. Bonds2

About 5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide

5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 1477707) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID1477707
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NC(C)C
InChIInChI=1S/C8H12N2O2/c1-5(2)10-8(11)7-4-9-12-6(7)3/h4-5H,1-3H3,(H,10,11)
InChIKeyGHXSQQTYJFWUBP-UHFFFAOYSA-N
XLogP1.12
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide (CID 1477707) is 5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NC(C)C.
What is the InChIKey of 5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is GHXSQQTYJFWUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5(2)10-8(11)7-4-9-12-6(7)3/h4-5H,1-3H3,(H,10,11).
What are the key properties of 5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide?
5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 168.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1477707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).