N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methoxypyridine-3-carboxamide

C16H17N5O3 — CID 155524757

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methoxypyridine-3-carboxamide
SMILESCOc1cncc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)c1
InChIInChI=1S/C16H17N5O3/c1-10-15(11(2)24-20-10)9-21-8-13(6-18-21)19-16(22)12-4-14(23-3)7-17-5-12/h4-8H,9H2,1-3H3,(H,19,22)
InChIKeyCOWOUJPABRWKPP-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.19
Rot. Bonds5

About N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methoxypyridine-3-carboxamide

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methoxypyridine-3-carboxamide (PubChem CID 155524757) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methoxypyridine-3-carboxamide
PubChem CID155524757
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methoxypyridine-3-carboxamide
SMILESCOc1cncc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)c1
InChIInChI=1S/C16H17N5O3/c1-10-15(11(2)24-20-10)9-21-8-13(6-18-21)19-16(22)12-4-14(23-3)7-17-5-12/h4-8H,9H2,1-3H3,(H,19,22)
InChIKeyCOWOUJPABRWKPP-UHFFFAOYSA-N
XLogP2.19
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methoxypyridine-3-carboxamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methoxypyridine-3-carboxamide (CID 155524757) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methoxypyridine-3-carboxamide is COc1cncc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)c1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methoxypyridine-3-carboxamide?
The InChIKey is COWOUJPABRWKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-10-15(11(2)24-20-10)9-21-8-13(6-18-21)19-16(22)12-4-14(23-3)7-17-5-12/h4-8H,9H2,1-3H3,(H,19,22).
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methoxypyridine-3-carboxamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methoxypyridine-3-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methoxypyridine-3-carboxamide is sourced from PubChem (CID 155524757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).