N-(1-methyl-3-oxo-2H-indazol-5-yl)oxane-4-carboxamide

C14H17N3O3 — CID 100830673

IUPACN-(1-methyl-3-oxo-2H-indazol-5-yl)oxane-4-carboxamide
SMILESCn1[nH]c(=O)c2cc(NC(=O)C3CCOCC3)ccc21
InChIInChI=1S/C14H17N3O3/c1-17-12-3-2-10(8-11(12)14(19)16-17)15-13(18)9-4-6-20-7-5-9/h2-3,8-9H,4-7H2,1H3,(H,15,18)(H,16,19)
InChIKeyZRRBSRDFNFFIFT-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.23
Rot. Bonds2

About N-(1-methyl-3-oxo-2H-indazol-5-yl)oxane-4-carboxamide

N-(1-methyl-3-oxo-2H-indazol-5-yl)oxane-4-carboxamide (PubChem CID 100830673) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(1-methyl-3-oxo-2H-indazol-5-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-3-oxo-2H-indazol-5-yl)oxane-4-carboxamide
PubChem CID100830673
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(1-methyl-3-oxo-2H-indazol-5-yl)oxane-4-carboxamide
SMILESCn1[nH]c(=O)c2cc(NC(=O)C3CCOCC3)ccc21
InChIInChI=1S/C14H17N3O3/c1-17-12-3-2-10(8-11(12)14(19)16-17)15-13(18)9-4-6-20-7-5-9/h2-3,8-9H,4-7H2,1H3,(H,15,18)(H,16,19)
InChIKeyZRRBSRDFNFFIFT-UHFFFAOYSA-N
XLogP1.23
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methyl-3-propan-2-yloxyindazol-5-yl)oxane-4-carboxamide
CID 100830658
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
2-methyl-N-(1-methyl-3-oxo-2H-indazol-5-yl)butanamide
CID 110210678
N-(3,4-difluorophenyl)oxane-4-carboxamide
CID 31963323
N-(3-iodo-4-methylphenyl)oxane-4-carboxamide
CID 31969171
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)oxane-4-carboxamide
CID 63901725
N-(2-methyl-1H-indol-5-yl)oxane-4-carboxamide
CID 97185524
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
N-(3-bromo-4-fluorophenyl)oxane-4-carboxamide
CID 115661522
N-(3-chloro-4-methoxyphenyl)oxane-4-carboxamide
CID 31963649
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride
CID 119312603
N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-4-methylcyclohexane-1-carboxamide
CID 20944530

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-oxo-2H-indazol-5-yl)oxane-4-carboxamide?
The IUPAC name of N-(1-methyl-3-oxo-2H-indazol-5-yl)oxane-4-carboxamide (CID 100830673) is N-(1-methyl-3-oxo-2H-indazol-5-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(1-methyl-3-oxo-2H-indazol-5-yl)oxane-4-carboxamide?
The canonical SMILES for N-(1-methyl-3-oxo-2H-indazol-5-yl)oxane-4-carboxamide is Cn1[nH]c(=O)c2cc(NC(=O)C3CCOCC3)ccc21.
What is the InChIKey of N-(1-methyl-3-oxo-2H-indazol-5-yl)oxane-4-carboxamide?
The InChIKey is ZRRBSRDFNFFIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-17-12-3-2-10(8-11(12)14(19)16-17)15-13(18)9-4-6-20-7-5-9/h2-3,8-9H,4-7H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-(1-methyl-3-oxo-2H-indazol-5-yl)oxane-4-carboxamide?
N-(1-methyl-3-oxo-2H-indazol-5-yl)oxane-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-oxo-2H-indazol-5-yl)oxane-4-carboxamide is sourced from PubChem (CID 100830673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).