4-[4-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-3,5-dimethyl-1,2-oxazole

C22H23N5O — CID 110129488

IUPAC4-[4-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1nccc(C2CCCN2Cc2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C22H23N5O/c1-14-21(15(2)28-26-14)22-24-10-8-18(25-22)20-4-3-11-27(20)13-16-5-6-17-7-9-23-19(17)12-16/h5-10,12,20,23H,3-4,11,13H2,1-2H3
InChIKeyIJPOTLFUYYOACM-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.57
Rot. Bonds4

About 4-[4-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-3,5-dimethyl-1,2-oxazole

4-[4-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 110129488) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-[4-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID110129488
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name4-[4-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1nccc(C2CCCN2Cc2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C22H23N5O/c1-14-21(15(2)28-26-14)22-24-10-8-18(25-22)20-4-3-11-27(20)13-16-5-6-17-7-9-23-19(17)12-16/h5-10,12,20,23H,3-4,11,13H2,1-2H3
InChIKeyIJPOTLFUYYOACM-UHFFFAOYSA-N
XLogP4.57
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-[4-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole
CID 110129440
3,5-dimethyl-4-[4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole
CID 124942382
6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole
CID 127244845
6-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 110104329
1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 110135347
3-[6-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide
CID 110255865
1-[(2R)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 125011304
4-[5-[[(3S)-1-(1H-indol-6-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 124999304
N-[[2-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 110095783
4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]-2-methylpyrimidine
CID 110103816
[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110135398
N-[[6-[(2S)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 124983565

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-3,5-dimethyl-1,2-oxazole (CID 110129488) is 4-[4-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1nccc(C2CCCN2Cc2ccc3cc[nH]c3c2)n1.
What is the InChIKey of 4-[4-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is IJPOTLFUYYOACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-14-21(15(2)28-26-14)22-24-10-8-18(25-22)20-4-3-11-27(20)13-16-5-6-17-7-9-23-19(17)12-16/h5-10,12,20,23H,3-4,11,13H2,1-2H3.
What are the key properties of 4-[4-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-3,5-dimethyl-1,2-oxazole?
4-[4-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 373.46 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 110129488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).