N-[[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(1-methylindol-3-yl)acetamide

C23H24N4O2 — CID 99874503

IUPACN-[[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(CC(=O)NC[C@@H]2CCCN2c2nc3ccccc3o2)c2ccccc21
InChIInChI=1S/C23H24N4O2/c1-26-15-16(18-8-2-4-10-20(18)26)13-22(28)24-14-17-7-6-12-27(17)23-25-19-9-3-5-11-21(19)29-23/h2-5,8-11,15,17H,6-7,12-14H2,1H3,(H,24,28)/t17-/m0/s1
InChIKeyIUARUGSOGFHNCG-KRWDZBQOSA-N
MW388.47 g/mol
LogP3.65
Rot. Bonds5

About N-[[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(1-methylindol-3-yl)acetamide

N-[[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(1-methylindol-3-yl)acetamide (PubChem CID 99874503) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(1-methylindol-3-yl)acetamide
PubChem CID99874503
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(CC(=O)NC[C@@H]2CCCN2c2nc3ccccc3o2)c2ccccc21
InChIInChI=1S/C23H24N4O2/c1-26-15-16(18-8-2-4-10-20(18)26)13-22(28)24-14-17-7-6-12-27(17)23-25-19-9-3-5-11-21(19)29-23/h2-5,8-11,15,17H,6-7,12-14H2,1H3,(H,24,28)/t17-/m0/s1
InChIKeyIUARUGSOGFHNCG-KRWDZBQOSA-N
XLogP3.65
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-[[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(1-methylindol-3-yl)acetamide (CID 99874503) is N-[[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-[[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-[[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(1-methylindol-3-yl)acetamide is Cn1cc(CC(=O)NC[C@@H]2CCCN2c2nc3ccccc3o2)c2ccccc21.
What is the InChIKey of N-[[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(1-methylindol-3-yl)acetamide?
The InChIKey is IUARUGSOGFHNCG-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-26-15-16(18-8-2-4-10-20(18)26)13-22(28)24-14-17-7-6-12-27(17)23-25-19-9-3-5-11-21(19)29-23/h2-5,8-11,15,17H,6-7,12-14H2,1H3,(H,24,28)/t17-/m0/s1.
What are the key properties of N-[[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(1-methylindol-3-yl)acetamide?
N-[[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(1-methylindol-3-yl)acetamide has a molecular weight of 388.47 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 99874503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).