(5S)-5-[[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-propan-2-ylamino]methyl]pyrrolidin-2-one

C16H21N5O2 — CID 26401253

IUPAC(5S)-5-[[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-propan-2-ylamino]methyl]pyrrolidin-2-one
SMILESCc1noc(-c2ccc(N(C[C@@H]3CCC(=O)N3)C(C)C)nc2)n1
InChIInChI=1S/C16H21N5O2/c1-10(2)21(9-13-5-7-15(22)19-13)14-6-4-12(8-17-14)16-18-11(3)20-23-16/h4,6,8,10,13H,5,7,9H2,1-3H3,(H,19,22)/t13-/m0/s1
InChIKeyRFCBCFSXFLIGBJ-ZDUSSCGKSA-N
MW315.38 g/mol
LogP1.93
Rot. Bonds5

About (5S)-5-[[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-propan-2-ylamino]methyl]pyrrolidin-2-one

(5S)-5-[[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-propan-2-ylamino]methyl]pyrrolidin-2-one (PubChem CID 26401253) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (5S)-5-[[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-propan-2-ylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-propan-2-ylamino]methyl]pyrrolidin-2-one
PubChem CID26401253
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(5S)-5-[[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-propan-2-ylamino]methyl]pyrrolidin-2-one
SMILESCc1noc(-c2ccc(N(C[C@@H]3CCC(=O)N3)C(C)C)nc2)n1
InChIInChI=1S/C16H21N5O2/c1-10(2)21(9-13-5-7-15(22)19-13)14-6-4-12(8-17-14)16-18-11(3)20-23-16/h4,6,8,10,13H,5,7,9H2,1-3H3,(H,19,22)/t13-/m0/s1
InChIKeyRFCBCFSXFLIGBJ-ZDUSSCGKSA-N
XLogP1.93
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S)-5-[[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-propan-2-ylamino]methyl]pyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(5S)-5-[[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
CID 42195697
5-[[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
CID 45187557
(5R)-5-[[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
CID 26411736
4-(4-aminopyrimidin-2-yl)-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 122572625
(5R)-5-[[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
CID 94092445
5-[4-(cyclopropylmethoxy)phenyl]-3-methyl-1,2,4-oxadiazole
CID 91283745
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol
CID 56769826
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
CID 56686570
(5S)-5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one
CID 95136036
5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 71564469
4-ethyl-2-methyl-5-[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 56712819
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56686574

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-propan-2-ylamino]methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-propan-2-ylamino]methyl]pyrrolidin-2-one (CID 26401253) is (5S)-5-[[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-propan-2-ylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-propan-2-ylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-propan-2-ylamino]methyl]pyrrolidin-2-one is Cc1noc(-c2ccc(N(C[C@@H]3CCC(=O)N3)C(C)C)nc2)n1.
What is the InChIKey of (5S)-5-[[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-propan-2-ylamino]methyl]pyrrolidin-2-one?
The InChIKey is RFCBCFSXFLIGBJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10(2)21(9-13-5-7-15(22)19-13)14-6-4-12(8-17-14)16-18-11(3)20-23-16/h4,6,8,10,13H,5,7,9H2,1-3H3,(H,19,22)/t13-/m0/s1.
What are the key properties of (5S)-5-[[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-propan-2-ylamino]methyl]pyrrolidin-2-one?
(5S)-5-[[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-propan-2-ylamino]methyl]pyrrolidin-2-one has a molecular weight of 315.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-propan-2-ylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 26401253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).