N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide

C19H16ClN4O2+ — CID 123635821

IUPACN-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide
SMILESC[n+]1cocc1C(=O)Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C19H15ClN4O2/c1-23-12-26-11-17(23)19(25)21-18-15-4-2-3-5-16(15)24(22-18)10-13-6-8-14(20)9-7-13/h2-9,11-12H,10H2,1H3/p+1
InChIKeyODXFEBFOJSNUPE-UHFFFAOYSA-O
MW367.82 g/mol
LogP3.41
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide

N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide (PubChem CID 123635821) has the molecular formula C19H16ClN4O2+ and a molecular weight of 367.82 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide
PubChem CID123635821
Molecular FormulaC19H16ClN4O2+
Molecular Weight367.82 g/mol
Exact Mass367.10
IUPAC NameN-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide
SMILESC[n+]1cocc1C(=O)Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C19H15ClN4O2/c1-23-12-26-11-17(23)19(25)21-18-15-4-2-3-5-16(15)24(22-18)10-13-6-8-14(20)9-7-13/h2-9,11-12H,10H2,1H3/p+1
InChIKeyODXFEBFOJSNUPE-UHFFFAOYSA-O
XLogP3.41
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.82
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]benzamide
CID 126472377
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide
CID 118466751
4,5-dimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide
CID 118326010
N-[1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
CID 126475209
N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide
CID 118335401
N-(1-benzylindazol-3-yl)-3-(dimethylamino)propanamide
CID 165350997
2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
CID 126603643
3-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
CID 118466718
2-methyl-N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]propanamide
CID 126475376
N-[(3-acetamidophenyl)methyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
CID 166984855
1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide
CID 166984841
N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide
CID 24954489

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide (CID 123635821) is N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide is C[n+]1cocc1C(=O)Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide?
The InChIKey is ODXFEBFOJSNUPE-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H15ClN4O2/c1-23-12-26-11-17(23)19(25)21-18-15-4-2-3-5-16(15)24(22-18)10-13-6-8-14(20)9-7-13/h2-9,11-12H,10H2,1H3/p+1.
What are the key properties of N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide?
N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide has a molecular weight of 367.82 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide is sourced from PubChem (CID 123635821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).