2-ethyl-5-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide

C16H17N5O3 — CID 52904190

IUPAC2-ethyl-5-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1nnc(COc2ccccc2)o1
InChIInChI=1S/C16H17N5O3/c1-3-21-13(9-11(2)20-21)15(22)17-16-19-18-14(24-16)10-23-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H,17,19,22)
InChIKeyLPKNSBXMHBWYNX-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.43
Rot. Bonds6

About 2-ethyl-5-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide

2-ethyl-5-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide (PubChem CID 52904190) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide
PubChem CID52904190
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name2-ethyl-5-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1nnc(COc2ccccc2)o1
InChIInChI=1S/C16H17N5O3/c1-3-21-13(9-11(2)20-21)15(22)17-16-19-18-14(24-16)10-23-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H,17,19,22)
InChIKeyLPKNSBXMHBWYNX-UHFFFAOYSA-N
XLogP2.43
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 11078012
N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 52904179
2-ethyl-5-methyl-N-[4-(1-phenylethoxy)-2-pyridinyl]pyrazole-3-carboxamide
CID 136554370
2-(4-chlorophenoxy)-2-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 52904168
[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]thiourea
CID 66120897
N-(2-chloro-1-phenylethyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114300222
2-ethyl-5-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 42111320
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 16802504
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate
CID 66122439
N-(4-iodo-2,6-dimethylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 21215048
N-[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 10860844
2-ethyl-N-(9-ethylcarbazol-3-yl)-5-methylpyrazole-3-carboxamide
CID 60619206

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-5-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide (CID 52904190) is 2-ethyl-5-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-5-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1nnc(COc2ccccc2)o1.
What is the InChIKey of 2-ethyl-5-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide?
The InChIKey is LPKNSBXMHBWYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-3-21-13(9-11(2)20-21)15(22)17-16-19-18-14(24-16)10-23-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H,17,19,22).
What are the key properties of 2-ethyl-5-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide?
2-ethyl-5-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 52904190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).