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

C8H12N2O2 — CID 3245069

IUPAC3-methyl-N-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC(C)C)on1
InChIInChI=1S/C8H12N2O2/c1-5(2)9-8(11)7-4-6(3)10-12-7/h4-5H,1-3H3,(H,9,11)
InChIKeyOXSGCHHGMDGNAC-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.12
Rot. Bonds2

About 3-methyl-N-propan-2-yl-1,2-oxazole-5-carboxamide

3-methyl-N-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 3245069) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID3245069
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-methyl-N-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC(C)C)on1
InChIInChI=1S/C8H12N2O2/c1-5(2)9-8(11)7-4-6(3)10-12-7/h4-5H,1-3H3,(H,9,11)
InChIKeyOXSGCHHGMDGNAC-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 3-methyl-N-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-propan-2-yl-1,2-oxazole-5-carboxamide (CID 3245069) is 3-methyl-N-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-propan-2-yl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC(C)C)on1.
What is the InChIKey of 3-methyl-N-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is OXSGCHHGMDGNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5(2)9-8(11)7-4-6(3)10-12-7/h4-5H,1-3H3,(H,9,11).
What are the key properties of 3-methyl-N-propan-2-yl-1,2-oxazole-5-carboxamide?
3-methyl-N-propan-2-yl-1,2-oxazole-5-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 3-methyl-N-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3245069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).