[5-chloro-1-[(2-phenyl-1,3-oxazol-5-yl)methyl]indazole-7-carbonyl]carbamic acid

C19H13ClN4O4 — CID 167254869

IUPAC[5-chloro-1-[(2-phenyl-1,3-oxazol-5-yl)methyl]indazole-7-carbonyl]carbamic acid
SMILESO=C(O)NC(=O)c1cc(Cl)cc2cnn(Cc3cnc(-c4ccccc4)o3)c12
InChIInChI=1S/C19H13ClN4O4/c20-13-6-12-8-22-24(16(12)15(7-13)17(25)23-19(26)27)10-14-9-21-18(28-14)11-4-2-1-3-5-11/h1-9H,10H2,(H,23,25)(H,26,27)
InChIKeyHKPGOXDUKJIVHV-UHFFFAOYSA-N
MW396.79 g/mol
LogP3.80
Rot. Bonds4

About [5-chloro-1-[(2-phenyl-1,3-oxazol-5-yl)methyl]indazole-7-carbonyl]carbamic acid

[5-chloro-1-[(2-phenyl-1,3-oxazol-5-yl)methyl]indazole-7-carbonyl]carbamic acid (PubChem CID 167254869) has the molecular formula C19H13ClN4O4 and a molecular weight of 396.79 g/mol. Its IUPAC name is [5-chloro-1-[(2-phenyl-1,3-oxazol-5-yl)methyl]indazole-7-carbonyl]carbamic acid.

Molecular Properties

Compound Name[5-chloro-1-[(2-phenyl-1,3-oxazol-5-yl)methyl]indazole-7-carbonyl]carbamic acid
PubChem CID167254869
Molecular FormulaC19H13ClN4O4
Molecular Weight396.79 g/mol
Exact Mass396.06
IUPAC Name[5-chloro-1-[(2-phenyl-1,3-oxazol-5-yl)methyl]indazole-7-carbonyl]carbamic acid
SMILESO=C(O)NC(=O)c1cc(Cl)cc2cnn(Cc3cnc(-c4ccccc4)o3)c12
InChIInChI=1S/C19H13ClN4O4/c20-13-6-12-8-22-24(16(12)15(7-13)17(25)23-19(26)27)10-14-9-21-18(28-14)11-4-2-1-3-5-11/h1-9H,10H2,(H,23,25)(H,26,27)
InChIKeyHKPGOXDUKJIVHV-UHFFFAOYSA-N
XLogP3.80
TPSA110.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.79
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]indazole-7-carboxylic acid
CID 166161768
5-chloro-1-[(2-phenylpyrimidin-5-yl)methyl]indazole-7-carboxylic acid
CID 166161853
2-[2-[[5-chloro-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]indazole-7-carbonyl]amino]spiro[3.3]heptan-6-yl]acetic acid
CID 175810036
2-[4-[[5-chloro-1-[(3-fluoro-4-phenylphenyl)methyl]indazole-7-carbonyl]amino]cyclohexyl]acetic acid
CID 146187989
1-[(4-bromophenyl)methyl]-5-chloro-N-cyclohexylindazole-7-carboxamide
CID 170309451
4-[[[1-[(3-chlorophenyl)methyl]-5-phenylindazole-7-carbonyl]amino]methyl]benzoic acid
CID 176772981
1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-N-(5-ethenyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 25003772
2-[4-[[5-chloro-1-[[5-(4-fluorophenyl)pyrazin-2-yl]methyl]indazole-7-carbonyl]amino]cyclohexyl]acetic acid
CID 167254440
methyl 5-chloro-1-[(5-cyclopropyl-2-pyridinyl)methyl]indazole-7-carboxylate
CID 166161801
4-[[[1-[[4-(4-fluorophenyl)phenyl]methyl]-5-phenylindazole-7-carbonyl]amino]methyl]benzoic acid
CID 175932883
[1-[(2-phenyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]urea
CID 146138459
methyl 5-chloro-1-[[2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-yl]methyl]indazole-7-carboxylate
CID 166161814

Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-[(2-phenyl-1,3-oxazol-5-yl)methyl]indazole-7-carbonyl]carbamic acid?
The IUPAC name of [5-chloro-1-[(2-phenyl-1,3-oxazol-5-yl)methyl]indazole-7-carbonyl]carbamic acid (CID 167254869) is [5-chloro-1-[(2-phenyl-1,3-oxazol-5-yl)methyl]indazole-7-carbonyl]carbamic acid.
What is the SMILES notation for [5-chloro-1-[(2-phenyl-1,3-oxazol-5-yl)methyl]indazole-7-carbonyl]carbamic acid?
The canonical SMILES for [5-chloro-1-[(2-phenyl-1,3-oxazol-5-yl)methyl]indazole-7-carbonyl]carbamic acid is O=C(O)NC(=O)c1cc(Cl)cc2cnn(Cc3cnc(-c4ccccc4)o3)c12.
What is the InChIKey of [5-chloro-1-[(2-phenyl-1,3-oxazol-5-yl)methyl]indazole-7-carbonyl]carbamic acid?
The InChIKey is HKPGOXDUKJIVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O4/c20-13-6-12-8-22-24(16(12)15(7-13)17(25)23-19(26)27)10-14-9-21-18(28-14)11-4-2-1-3-5-11/h1-9H,10H2,(H,23,25)(H,26,27).
What are the key properties of [5-chloro-1-[(2-phenyl-1,3-oxazol-5-yl)methyl]indazole-7-carbonyl]carbamic acid?
[5-chloro-1-[(2-phenyl-1,3-oxazol-5-yl)methyl]indazole-7-carbonyl]carbamic acid has a molecular weight of 396.79 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-[(2-phenyl-1,3-oxazol-5-yl)methyl]indazole-7-carbonyl]carbamic acid is sourced from PubChem (CID 167254869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).