(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide

C15H25N5O2 — CID 95979154

IUPAC(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@@H]1Cn1cncn1
InChIInChI=1S/C15H25N5O2/c1-12(15(21)17-8-14-5-3-7-22-14)20-6-2-4-13(20)9-19-11-16-10-18-19/h10-14H,2-9H2,1H3,(H,17,21)/t12-,13-,14+/m1/s1
InChIKeyYNYBKVLBNFJRLR-MCIONIFRSA-N
MW307.40 g/mol
LogP0.43
Rot. Bonds6

About (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide

(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide (PubChem CID 95979154) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
PubChem CID95979154
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@@H]1Cn1cncn1
InChIInChI=1S/C15H25N5O2/c1-12(15(21)17-8-14-5-3-7-22-14)20-6-2-4-13(20)9-19-11-16-10-18-19/h10-14H,2-9H2,1H3,(H,17,21)/t12-,13-,14+/m1/s1
InChIKeyYNYBKVLBNFJRLR-MCIONIFRSA-N
XLogP0.43
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 28285400
N-(oxolan-2-ylmethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 53624535
2-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 72006183
1-[[(2R)-oxolan-2-yl]methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)urea
CID 128795188
methyl (2S,4R)-1-methyl-4-{[3-(1H-1,2,4-triazol-1-yl)propanoyl]amino}pyrrolidine-2-carboxylate
CID 50976491
2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 53590289
N-methyl-N-[[(2S)-oxolan-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 28285399
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 43593947
N-[(4S)-4-methoxypyrrolidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 43593951
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 43593953
N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)acetamide
CID 45148255
N-methyl-N-(tetrahydro-2-furanylmethyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 45220855

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide (CID 95979154) is (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide is C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@@H]1Cn1cncn1.
What is the InChIKey of (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is YNYBKVLBNFJRLR-MCIONIFRSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-12(15(21)17-8-14-5-3-7-22-14)20-6-2-4-13(20)9-19-11-16-10-18-19/h10-14H,2-9H2,1H3,(H,17,21)/t12-,13-,14+/m1/s1.
What are the key properties of (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 307.40 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 95979154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).