2-(cyclopropylmethyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide

C16H25N3O3 — CID 128987272

IUPAC2-(cyclopropylmethyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCO[C@H]1C[C@@H](CN(C)C(=O)c2coc(CC3CC3)n2)N(C)C1
InChIInChI=1S/C16H25N3O3/c1-18-9-13(21-3)7-12(18)8-19(2)16(20)14-10-22-15(17-14)6-11-4-5-11/h10-13H,4-9H2,1-3H3/t12-,13-/m0/s1
InChIKeyRAFFRAPDGYUGGX-STQMWFEESA-N
MW307.39 g/mol
LogP1.42
Rot. Bonds6

About 2-(cyclopropylmethyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide

2-(cyclopropylmethyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 128987272) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID128987272
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name2-(cyclopropylmethyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCO[C@H]1C[C@@H](CN(C)C(=O)c2coc(CC3CC3)n2)N(C)C1
InChIInChI=1S/C16H25N3O3/c1-18-9-13(21-3)7-12(18)8-19(2)16(20)14-10-22-15(17-14)6-11-4-5-11/h10-13H,4-9H2,1-3H3/t12-,13-/m0/s1
InChIKeyRAFFRAPDGYUGGX-STQMWFEESA-N
XLogP1.42
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(cyclopropylmethyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide (CID 128987272) is 2-(cyclopropylmethyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(cyclopropylmethyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide is CO[C@H]1C[C@@H](CN(C)C(=O)c2coc(CC3CC3)n2)N(C)C1.
What is the InChIKey of 2-(cyclopropylmethyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is RAFFRAPDGYUGGX-STQMWFEESA-N. The full InChI is InChI=1S/C16H25N3O3/c1-18-9-13(21-3)7-12(18)8-19(2)16(20)14-10-22-15(17-14)6-11-4-5-11/h10-13H,4-9H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of 2-(cyclopropylmethyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
2-(cyclopropylmethyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 128987272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).