4-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C18H20N6O4 — CID 138989744

IUPAC4-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1nc(COc2cccc(C(=O)Nc3c(C(N)=O)n[nH]c3C(C)C)c2)no1
InChIInChI=1S/C18H20N6O4/c1-9(2)14-15(16(17(19)25)23-22-14)21-18(26)11-5-4-6-12(7-11)27-8-13-20-10(3)28-24-13/h4-7,9H,8H2,1-3H3,(H2,19,25)(H,21,26)(H,22,23)
InChIKeyJAZXUHHGYVGYON-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.15
Rot. Bonds7

About 4-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 138989744) has the molecular formula C18H20N6O4 and a molecular weight of 384.40 g/mol. Its IUPAC name is 4-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID138989744
Molecular FormulaC18H20N6O4
Molecular Weight384.40 g/mol
Exact Mass384.15
IUPAC Name4-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1nc(COc2cccc(C(=O)Nc3c(C(N)=O)n[nH]c3C(C)C)c2)no1
InChIInChI=1S/C18H20N6O4/c1-9(2)14-15(16(17(19)25)23-22-14)21-18(26)11-5-4-6-12(7-11)27-8-13-20-10(3)28-24-13/h4-7,9H,8H2,1-3H3,(H2,19,25)(H,21,26)(H,22,23)
InChIKeyJAZXUHHGYVGYON-UHFFFAOYSA-N
XLogP2.15
TPSA149.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 166236379
[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 97246035
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CID 120531064
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N-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 60881291
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CID 55908467
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46416378
N-ethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 47137708
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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 138989744) is 4-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide is Cc1nc(COc2cccc(C(=O)Nc3c(C(N)=O)n[nH]c3C(C)C)c2)no1.
What is the InChIKey of 4-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is JAZXUHHGYVGYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4/c1-9(2)14-15(16(17(19)25)23-22-14)21-18(26)11-5-4-6-12(7-11)27-8-13-20-10(3)28-24-13/h4-7,9H,8H2,1-3H3,(H2,19,25)(H,21,26)(H,22,23).
What are the key properties of 4-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 138989744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).