N-ethyl-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide

C8H14N2O2 — CID 20523777

IUPACN-ethyl-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide
SMILESCCNC(=O)C1=NC(C)(C)CO1
InChIInChI=1S/C8H14N2O2/c1-4-9-6(11)7-10-8(2,3)5-12-7/h4-5H2,1-3H3,(H,9,11)
InChIKeyDRJLZOAEEKFFRR-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.33
Rot. Bonds2

About N-ethyl-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide

N-ethyl-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide (PubChem CID 20523777) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide
PubChem CID20523777
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-ethyl-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide
SMILESCCNC(=O)C1=NC(C)(C)CO1
InChIInChI=1S/C8H14N2O2/c1-4-9-6(11)7-10-8(2,3)5-12-7/h4-5H2,1-3H3,(H,9,11)
InChIKeyDRJLZOAEEKFFRR-UHFFFAOYSA-N
XLogP0.33
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-2-methylpropoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 64537807
N-[(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]acetamide
CID 20371968
N-propan-2-yl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523757
N-propan-2-yl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523776
N-butyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523781
N-pentyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523784
N-ethyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523794
N,N-diethyl-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide
CID 20523815
N-propyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523829
N-Ethyl-4,5-dihydrooxazole-2-carboxamide
CID 20523838
N-propyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523847
N-[4-[(4,4-dimethyl-5H-1,3-oxazole-2-carbonyl)amino]butyl]-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide
CID 22101619

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide?
The IUPAC name of N-ethyl-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide (CID 20523777) is N-ethyl-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-ethyl-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-ethyl-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide is CCNC(=O)C1=NC(C)(C)CO1.
What is the InChIKey of N-ethyl-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide?
The InChIKey is DRJLZOAEEKFFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-4-9-6(11)7-10-8(2,3)5-12-7/h4-5H2,1-3H3,(H,9,11).
What are the key properties of N-ethyl-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide?
N-ethyl-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide has a molecular weight of 170.21 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 20523777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).