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

C23H25N5O — CID 124999304

IUPAC4-[5-[[(3S)-1-(1H-indol-6-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc(C[C@@H]2CCN(Cc3ccc4cc[nH]c4c3)C2)cn1
InChIInChI=1S/C23H25N5O/c1-15-23(16(2)29-27-15)22-12-25-20(11-26-22)9-18-6-8-28(14-18)13-17-3-4-19-5-7-24-21(19)10-17/h3-5,7,10-12,18,24H,6,8-9,13-14H2,1-2H3/t18-/m0/s1
InChIKeyROAJKCBDMRFQIF-SFHVURJKSA-N
MW387.49 g/mol
LogP4.29
Rot. Bonds5

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

4-[5-[[(3S)-1-(1H-indol-6-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 124999304) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 4-[5-[[(3S)-1-(1H-indol-6-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[5-[[(3S)-1-(1H-indol-6-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID124999304
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name4-[5-[[(3S)-1-(1H-indol-6-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc(C[C@@H]2CCN(Cc3ccc4cc[nH]c4c3)C2)cn1
InChIInChI=1S/C23H25N5O/c1-15-23(16(2)29-27-15)22-12-25-20(11-26-22)9-18-6-8-28(14-18)13-17-3-4-19-5-7-24-21(19)10-17/h3-5,7,10-12,18,24H,6,8-9,13-14H2,1-2H3/t18-/m0/s1
InChIKeyROAJKCBDMRFQIF-SFHVURJKSA-N
XLogP4.29
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-[5-[[(3R)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-1,2-oxazole
CID 124990434
4-[6-[[1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
CID 110129306
[3-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110159037
4-[4-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 110129488
4-[6-[[(3R)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
CID 124957980
3,5-dimethyl-4-[6-[[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole
CID 125001551
4-[6-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
CID 110129353
2-[[1-(1H-indol-6-ylmethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxylic acid
CID 166274402
[(3R)-3-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 125014804
3-[[1-(1H-indol-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113201
3,5-dimethyl-4-[6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole
CID 125009384
4-[6-[[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
CID 124974631

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[(3S)-1-(1H-indol-6-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[5-[[(3S)-1-(1H-indol-6-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole (CID 124999304) is 4-[5-[[(3S)-1-(1H-indol-6-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[5-[[(3S)-1-(1H-indol-6-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[5-[[(3S)-1-(1H-indol-6-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cnc(C[C@@H]2CCN(Cc3ccc4cc[nH]c4c3)C2)cn1.
What is the InChIKey of 4-[5-[[(3S)-1-(1H-indol-6-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is ROAJKCBDMRFQIF-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25N5O/c1-15-23(16(2)29-27-15)22-12-25-20(11-26-22)9-18-6-8-28(14-18)13-17-3-4-19-5-7-24-21(19)10-17/h3-5,7,10-12,18,24H,6,8-9,13-14H2,1-2H3/t18-/m0/s1.
What are the key properties of 4-[5-[[(3S)-1-(1H-indol-6-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole?
4-[5-[[(3S)-1-(1H-indol-6-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 387.49 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[(3S)-1-(1H-indol-6-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 124999304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).