N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide

C18H25N3O2 — CID 166072120

IUPACN-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
SMILESCc1cccc2c(C(C)(C)NC(=O)C[C@@H]3CCCN3C)noc12
InChIInChI=1S/C18H25N3O2/c1-12-7-5-9-14-16(12)23-20-17(14)18(2,3)19-15(22)11-13-8-6-10-21(13)4/h5,7,9,13H,6,8,10-11H2,1-4H3,(H,19,22)/t13-/m0/s1
InChIKeyMYAPOWQYRDNLGO-ZDUSSCGKSA-N
MW315.42 g/mol
LogP2.97
Rot. Bonds4

About N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide

N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide (PubChem CID 166072120) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
PubChem CID166072120
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
SMILESCc1cccc2c(C(C)(C)NC(=O)C[C@@H]3CCCN3C)noc12
InChIInChI=1S/C18H25N3O2/c1-12-7-5-9-14-16(12)23-20-17(14)18(2,3)19-15(22)11-13-8-6-10-21(13)4/h5,7,9,13H,6,8,10-11H2,1-4H3,(H,19,22)/t13-/m0/s1
InChIKeyMYAPOWQYRDNLGO-ZDUSSCGKSA-N
XLogP2.97
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide?
The IUPAC name of N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide (CID 166072120) is N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide?
The canonical SMILES for N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide is Cc1cccc2c(C(C)(C)NC(=O)C[C@@H]3CCCN3C)noc12.
What is the InChIKey of N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide?
The InChIKey is MYAPOWQYRDNLGO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-7-5-9-14-16(12)23-20-17(14)18(2,3)19-15(22)11-13-8-6-10-21(13)4/h5,7,9,13H,6,8,10-11H2,1-4H3,(H,19,22)/t13-/m0/s1.
What are the key properties of N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide?
N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide is sourced from PubChem (CID 166072120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).