N-[2-(1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide

C17H24N4O2 — CID 121346549

IUPACN-[2-(1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide
SMILESCn1nc(C(C)(C)NC(=O)C2CNCCCO2)c2ccccc21
InChIInChI=1S/C17H24N4O2/c1-17(2,19-16(22)14-11-18-9-6-10-23-14)15-12-7-4-5-8-13(12)21(3)20-15/h4-5,7-8,14,18H,6,9-11H2,1-3H3,(H,19,22)
InChIKeyGWOJVVDZCRLEDR-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.30
Rot. Bonds3

About N-[2-(1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide

N-[2-(1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide (PubChem CID 121346549) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[2-(1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide
PubChem CID121346549
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-[2-(1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide
SMILESCn1nc(C(C)(C)NC(=O)C2CNCCCO2)c2ccccc21
InChIInChI=1S/C17H24N4O2/c1-17(2,19-16(22)14-11-18-9-6-10-23-14)15-12-7-4-5-8-13(12)21(3)20-15/h4-5,7-8,14,18H,6,9-11H2,1-3H3,(H,19,22)
InChIKeyGWOJVVDZCRLEDR-UHFFFAOYSA-N
XLogP1.30
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-diethoxyethyl)-2-(3-methyl-1H-indazol-1-yl)acetamide
CID 4295387
US10071974, Example 77
CID 136214383
(2R)-N-cyclopropyl-N-[(1R)-1-[1-(4-methoxybutyl)indazol-3-yl]ethyl]morpholine-2-carboxamide
CID 89939558
(2R)-N-cyclopropyl-N-[(1R)-1-[4-fluoro-1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide
CID 117877381
N-(2,2-dimethoxyethyl)-2-(3-methyl-1H-indazol-1-yl)propanamide
CID 4295610
(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)indazol-3-yl]methyl]morpholine-2-carboxamide
CID 25124582
(2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide
CID 66551447
(2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3,4-dimethylindazol-6-yl]ethyl]morpholine-2-carboxamide
CID 66551837
(2R)-N-cyclopropyl-N-[(1S)-1-[1-(3-methoxypropyl)indazol-6-yl]ethyl]morpholine-2-carboxamide
CID 68309757
(2R)-N-cyclopropyl-N-[(1S)-1-[4-fluoro-1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide
CID 68309979
(2R)-N-cyclopropyl-N-[(1S)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide
CID 68310592
(2R)-N-cyclopropyl-N-[(1R)-1-[3-fluoro-1-(3-methoxypropyl)indazol-6-yl]ethyl]morpholine-2-carboxamide
CID 68310604

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide?
The IUPAC name of N-[2-(1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide (CID 121346549) is N-[2-(1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide.
What is the SMILES notation for N-[2-(1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide?
The canonical SMILES for N-[2-(1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide is Cn1nc(C(C)(C)NC(=O)C2CNCCCO2)c2ccccc21.
What is the InChIKey of N-[2-(1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide?
The InChIKey is GWOJVVDZCRLEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-17(2,19-16(22)14-11-18-9-6-10-23-14)15-12-7-4-5-8-13(12)21(3)20-15/h4-5,7-8,14,18H,6,9-11H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide?
N-[2-(1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide is sourced from PubChem (CID 121346549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).