N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-6-methoxypyridine-2-carboxamide

C16H17N5O3 — CID 155518895

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-6-methoxypyridine-2-carboxamide
SMILESCOc1cccc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)n1
InChIInChI=1S/C16H17N5O3/c1-10-13(11(2)24-20-10)9-21-8-12(7-17-21)18-16(22)14-5-4-6-15(19-14)23-3/h4-8H,9H2,1-3H3,(H,18,22)
InChIKeyCOBZMZONPDKQDQ-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]-6-methoxypyridine-2-carboxamide

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-6-methoxypyridine-2-carboxamide (PubChem CID 155518895) 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]-6-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-6-methoxypyridine-2-carboxamide
PubChem CID155518895
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]-6-methoxypyridine-2-carboxamide
SMILESCOc1cccc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)n1
InChIInChI=1S/C16H17N5O3/c1-10-13(11(2)24-20-10)9-21-8-12(7-17-21)18-16(22)14-5-4-6-15(19-14)23-3/h4-8H,9H2,1-3H3,(H,18,22)
InChIKeyCOBZMZONPDKQDQ-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]-6-methoxypyridine-2-carboxamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-6-methoxypyridine-2-carboxamide (CID 155518895) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-6-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-6-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-6-methoxypyridine-2-carboxamide is COc1cccc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)n1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-6-methoxypyridine-2-carboxamide?
The InChIKey is COBZMZONPDKQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-10-13(11(2)24-20-10)9-21-8-12(7-17-21)18-16(22)14-5-4-6-15(19-14)23-3/h4-8H,9H2,1-3H3,(H,18,22).
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-6-methoxypyridine-2-carboxamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-6-methoxypyridine-2-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]-6-methoxypyridine-2-carboxamide is sourced from PubChem (CID 155518895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).