2-methyl-4-propan-2-yl-N-prop-2-enyl-1,3-oxazole-5-carboxamide

C11H16N2O2 — CID 110684617

IUPAC2-methyl-4-propan-2-yl-N-prop-2-enyl-1,3-oxazole-5-carboxamide
SMILESC=CCNC(=O)c1oc(C)nc1C(C)C
InChIInChI=1S/C11H16N2O2/c1-5-6-12-11(14)10-9(7(2)3)13-8(4)15-10/h5,7H,1,6H2,2-4H3,(H,12,14)
InChIKeyBCPXHCHOPSLPQG-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.02
Rot. Bonds4

About 2-methyl-4-propan-2-yl-N-prop-2-enyl-1,3-oxazole-5-carboxamide

2-methyl-4-propan-2-yl-N-prop-2-enyl-1,3-oxazole-5-carboxamide (PubChem CID 110684617) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yl-N-prop-2-enyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-4-propan-2-yl-N-prop-2-enyl-1,3-oxazole-5-carboxamide
PubChem CID110684617
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-methyl-4-propan-2-yl-N-prop-2-enyl-1,3-oxazole-5-carboxamide
SMILESC=CCNC(=O)c1oc(C)nc1C(C)C
InChIInChI=1S/C11H16N2O2/c1-5-6-12-11(14)10-9(7(2)3)13-8(4)15-10/h5,7H,1,6H2,2-4H3,(H,12,14)
InChIKeyBCPXHCHOPSLPQG-UHFFFAOYSA-N
XLogP2.02
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684647
2-methyl-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684632
2-methyl-4-propan-2-yl-N-pyrimidin-2-yl-1,3-oxazole-5-carboxamide
CID 110684765
N-[4-(dimethylamino)phenyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684758
N-(2,3-dimethylphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684721
N-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114296555
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-prop-2-enylurea
CID 47360072
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684763
N-(3,4-dimethoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684744
(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone
CID 110684621
N-(3-bromo-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114313428
5,6-dimethyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide
CID 10012796

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yl-N-prop-2-enyl-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-methyl-4-propan-2-yl-N-prop-2-enyl-1,3-oxazole-5-carboxamide (CID 110684617) is 2-methyl-4-propan-2-yl-N-prop-2-enyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-methyl-4-propan-2-yl-N-prop-2-enyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-methyl-4-propan-2-yl-N-prop-2-enyl-1,3-oxazole-5-carboxamide is C=CCNC(=O)c1oc(C)nc1C(C)C.
What is the InChIKey of 2-methyl-4-propan-2-yl-N-prop-2-enyl-1,3-oxazole-5-carboxamide?
The InChIKey is BCPXHCHOPSLPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-5-6-12-11(14)10-9(7(2)3)13-8(4)15-10/h5,7H,1,6H2,2-4H3,(H,12,14).
What are the key properties of 2-methyl-4-propan-2-yl-N-prop-2-enyl-1,3-oxazole-5-carboxamide?
2-methyl-4-propan-2-yl-N-prop-2-enyl-1,3-oxazole-5-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yl-N-prop-2-enyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110684617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).