N-(1-ethylcyclobutyl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide

C14H18N4O2 — CID 138016887

IUPACN-(1-ethylcyclobutyl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCCC1(NC(=O)c2cc(-c3ccn(C)n3)on2)CCC1
InChIInChI=1S/C14H18N4O2/c1-3-14(6-4-7-14)15-13(19)11-9-12(20-17-11)10-5-8-18(2)16-10/h5,8-9H,3-4,6-7H2,1-2H3,(H,15,19)
InChIKeyBDCXOCRNXIWVQN-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.14
Rot. Bonds4

About N-(1-ethylcyclobutyl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide

N-(1-ethylcyclobutyl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 138016887) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(1-ethylcyclobutyl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethylcyclobutyl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID138016887
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(1-ethylcyclobutyl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCCC1(NC(=O)c2cc(-c3ccn(C)n3)on2)CCC1
InChIInChI=1S/C14H18N4O2/c1-3-14(6-4-7-14)15-13(19)11-9-12(20-17-11)10-5-8-18(2)16-10/h5,8-9H,3-4,6-7H2,1-2H3,(H,15,19)
InChIKeyBDCXOCRNXIWVQN-UHFFFAOYSA-N
XLogP2.14
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 16188847
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CID 57422266
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CID 153140370
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CID 1093761
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CID 57422275
CID 57422275
CID 4867418
CID 4867418
CID 146220472
CID 146220472
CID 146220506
CID 146220506
CID 146220606
CID 146220606
CID 146220609
CID 146220609
CID 146220630
CID 146220630
CID 146220662
CID 146220662

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylcyclobutyl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-ethylcyclobutyl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide (CID 138016887) is N-(1-ethylcyclobutyl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-ethylcyclobutyl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-ethylcyclobutyl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide is CCC1(NC(=O)c2cc(-c3ccn(C)n3)on2)CCC1.
What is the InChIKey of N-(1-ethylcyclobutyl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is BDCXOCRNXIWVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-14(6-4-7-14)15-13(19)11-9-12(20-17-11)10-5-8-18(2)16-10/h5,8-9H,3-4,6-7H2,1-2H3,(H,15,19).
What are the key properties of N-(1-ethylcyclobutyl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
N-(1-ethylcyclobutyl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylcyclobutyl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 138016887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).