(2S)-N-(3-chloro-2H-indazol-6-yl)oxolane-2-carboxamide

C12H12ClN3O2 — CID 166391108

IUPAC(2S)-N-(3-chloro-2H-indazol-6-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc2c(Cl)[nH]nc2c1)[C@@H]1CCCO1
InChIInChI=1S/C12H12ClN3O2/c13-11-8-4-3-7(6-9(8)15-16-11)14-12(17)10-2-1-5-18-10/h3-4,6,10H,1-2,5H2,(H,14,17)(H,15,16)/t10-/m0/s1
InChIKeySQIJFAQCRYKNOV-JTQLQIEISA-N
MW265.70 g/mol
LogP2.33
Rot. Bonds2

About (2S)-N-(3-chloro-2H-indazol-6-yl)oxolane-2-carboxamide

(2S)-N-(3-chloro-2H-indazol-6-yl)oxolane-2-carboxamide (PubChem CID 166391108) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is (2S)-N-(3-chloro-2H-indazol-6-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-2H-indazol-6-yl)oxolane-2-carboxamide
PubChem CID166391108
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name(2S)-N-(3-chloro-2H-indazol-6-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc2c(Cl)[nH]nc2c1)[C@@H]1CCCO1
InChIInChI=1S/C12H12ClN3O2/c13-11-8-4-3-7(6-9(8)15-16-11)14-12(17)10-2-1-5-18-10/h3-4,6,10H,1-2,5H2,(H,14,17)(H,15,16)/t10-/m0/s1
InChIKeySQIJFAQCRYKNOV-JTQLQIEISA-N
XLogP2.33
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-chloro-4-pyridinyl)oxolane-2-carboxamide
CID 129370669
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
2-chloro-4-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 113462421
(2R)-N-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide
CID 900578
(2R)-N-dibenzofuran-3-yloxolane-2-carboxamide
CID 7269123
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
CID 757856
N-(4-bromo-3-chlorophenyl)oxane-2-carboxamide
CID 103824509
N-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide
CID 24865983
(2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxolane-2-carboxamide
CID 9451672
(2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide
CID 94194100
N-phenyloxolane-2-carboxamide
CID 3453643
(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-2H-indazol-6-yl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(3-chloro-2H-indazol-6-yl)oxolane-2-carboxamide (CID 166391108) is (2S)-N-(3-chloro-2H-indazol-6-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-chloro-2H-indazol-6-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(3-chloro-2H-indazol-6-yl)oxolane-2-carboxamide is O=C(Nc1ccc2c(Cl)[nH]nc2c1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(3-chloro-2H-indazol-6-yl)oxolane-2-carboxamide?
The InChIKey is SQIJFAQCRYKNOV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12ClN3O2/c13-11-8-4-3-7(6-9(8)15-16-11)14-12(17)10-2-1-5-18-10/h3-4,6,10H,1-2,5H2,(H,14,17)(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-2H-indazol-6-yl)oxolane-2-carboxamide?
(2S)-N-(3-chloro-2H-indazol-6-yl)oxolane-2-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-2H-indazol-6-yl)oxolane-2-carboxamide is sourced from PubChem (CID 166391108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).