N-[2-[[2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide

C16H16ClN5O3 — CID 99383022

IUPACN-[2-[[2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide
SMILESCc1noc(Cl)c1CC(=O)NCCNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C16H16ClN5O3/c1-9-11(15(17)25-22-9)8-13(23)18-6-7-19-16(24)14-10-4-2-3-5-12(10)20-21-14/h2-5H,6-8H2,1H3,(H,18,23)(H,19,24)(H,20,21)
InChIKeyHBVXLCLFCIKTJS-UHFFFAOYSA-N
MW361.79 g/mol
LogP1.60
Rot. Bonds6

About N-[2-[[2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide

N-[2-[[2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide (PubChem CID 99383022) has the molecular formula C16H16ClN5O3 and a molecular weight of 361.79 g/mol. Its IUPAC name is N-[2-[[2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide
PubChem CID99383022
Molecular FormulaC16H16ClN5O3
Molecular Weight361.79 g/mol
Exact Mass361.09
IUPAC NameN-[2-[[2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide
SMILESCc1noc(Cl)c1CC(=O)NCCNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C16H16ClN5O3/c1-9-11(15(17)25-22-9)8-13(23)18-6-7-19-16(24)14-10-4-2-3-5-12(10)20-21-14/h2-5H,6-8H2,1H3,(H,18,23)(H,19,24)(H,20,21)
InChIKeyHBVXLCLFCIKTJS-UHFFFAOYSA-N
XLogP1.60
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(2-methylphenoxy)propyl]acetamide
CID 56826665
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N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858384
N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 115605737
N-[2-[(2-piperidin-4-ylacetyl)amino]ethyl]-1H-indazole-3-carboxamide
CID 170858443
N-(4-aminobutyl)-1H-indazole-3-carboxamide
CID 64982743
N-[3-(diethylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 61149810
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
ethyl 4-(1H-indazole-3-carbonylamino)butanoate
CID 60637293
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858386
N-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide
CID 69079053

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-[[2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide (CID 99383022) is N-[2-[[2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-[[2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-[[2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide is Cc1noc(Cl)c1CC(=O)NCCNC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[2-[[2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide?
The InChIKey is HBVXLCLFCIKTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O3/c1-9-11(15(17)25-22-9)8-13(23)18-6-7-19-16(24)14-10-4-2-3-5-12(10)20-21-14/h2-5H,6-8H2,1H3,(H,18,23)(H,19,24)(H,20,21).
What are the key properties of N-[2-[[2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide?
N-[2-[[2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide has a molecular weight of 361.79 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 99383022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).