[2-[4-(indazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone

C22H20N4O2 — CID 25204503

IUPAC[2-[4-(indazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1coc(-c2ccc(Cn3ncc4ccccc43)cc2)n1)N1CCCC1
InChIInChI=1S/C22H20N4O2/c27-22(25-11-3-4-12-25)19-15-28-21(24-19)17-9-7-16(8-10-17)14-26-20-6-2-1-5-18(20)13-23-26/h1-2,5-10,13,15H,3-4,11-12,14H2
InChIKeyUVJVQZSPPWOEOF-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.98
Rot. Bonds4

About [2-[4-(indazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone

[2-[4-(indazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 25204503) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is [2-[4-(indazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[4-(indazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID25204503
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name[2-[4-(indazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1coc(-c2ccc(Cn3ncc4ccccc43)cc2)n1)N1CCCC1
InChIInChI=1S/C22H20N4O2/c27-22(25-11-3-4-12-25)19-15-28-21(24-19)17-9-7-16(8-10-17)14-26-20-6-2-1-5-18(20)13-23-26/h1-2,5-10,13,15H,3-4,11-12,14H2
InChIKeyUVJVQZSPPWOEOF-UHFFFAOYSA-N
XLogP3.98
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(indazol-1-ylmethyl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
CID 25204504
[2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 3857403
2-methyl-3-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide
CID 10127230
5-(indazol-1-ylmethyl)furan-3-carboxylic acid
CID 62267281
1-(2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 119137409
N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-thiophen-3-ylacetamide
CID 10238050
1-[(4-phenylphenyl)methyl]indazole-5-carboxylic acid
CID 169187967
ethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate
CID 46896218
(4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]methanone
CID 84557885
2-[4-(indazol-1-ylmethyl)phenyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 163699896
N-hydroxy-4-(indazol-1-ylmethyl)-N-methylbenzamide
CID 168655042
5-(indazol-1-ylmethyl)furan-2-carbohydrazide
CID 63578154

Frequently Asked Questions

What is the IUPAC name of [2-[4-(indazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[4-(indazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone (CID 25204503) is [2-[4-(indazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[4-(indazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[4-(indazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1coc(-c2ccc(Cn3ncc4ccccc43)cc2)n1)N1CCCC1.
What is the InChIKey of [2-[4-(indazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UVJVQZSPPWOEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-22(25-11-3-4-12-25)19-15-28-21(24-19)17-9-7-16(8-10-17)14-26-20-6-2-1-5-18(20)13-23-26/h1-2,5-10,13,15H,3-4,11-12,14H2.
What are the key properties of [2-[4-(indazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
[2-[4-(indazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 372.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(indazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 25204503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).