1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide

C14H20N4O2 — CID 47055119

IUPAC1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cnn(C(C)(C)C)c2)no1
InChIInChI=1S/C14H20N4O2/c1-10-6-12(16-20-10)9-17(5)13(19)11-7-15-18(8-11)14(2,3)4/h6-8H,9H2,1-5H3
InChIKeyCMYOYVMDTMJQNV-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.21
Rot. Bonds3

About 1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide

1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide (PubChem CID 47055119) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide
PubChem CID47055119
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cnn(C(C)(C)C)c2)no1
InChIInChI=1S/C14H20N4O2/c1-10-6-12(16-20-10)9-17(5)13(19)11-7-15-18(8-11)14(2,3)4/h6-8H,9H2,1-5H3
InChIKeyCMYOYVMDTMJQNV-UHFFFAOYSA-N
XLogP2.21
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 154739474
4-bromo-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 113338807
4-(difluoromethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 86929112
1-tert-butyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
CID 86833630
2-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide
CID 61292900
4-amino-1-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-5-carboxamide
CID 65357392
3-amino-N,2,2,3-tetramethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 65264344
N,1-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 38304018
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 60753578
(2S)-2-amino-N,3,3-trimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide;hydrochloride
CID 119729318
2-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 62821268
4,5-dibromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 38880738

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide (CID 47055119) is 1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide is Cc1cc(CN(C)C(=O)c2cnn(C(C)(C)C)c2)no1.
What is the InChIKey of 1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is CMYOYVMDTMJQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10-6-12(16-20-10)9-17(5)13(19)11-7-15-18(8-11)14(2,3)4/h6-8H,9H2,1-5H3.
What are the key properties of 1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide?
1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 47055119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).