N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C19H26N4O2 — CID 118739897

IUPACN-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(Cc2cc(C(C)C)no2)CCN(Cc2cccnc2)C1
InChIInChI=1S/C19H26N4O2/c1-14(2)17-9-16(25-22-17)10-19(18(24)20-3)6-8-23(13-19)12-15-5-4-7-21-11-15/h4-5,7,9,11,14H,6,8,10,12-13H2,1-3H3,(H,20,24)
InChIKeySKQHCNRDGKEKSY-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.37
Rot. Bonds6

About N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 118739897) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID118739897
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(Cc2cc(C(C)C)no2)CCN(Cc2cccnc2)C1
InChIInChI=1S/C19H26N4O2/c1-14(2)17-9-16(25-22-17)10-19(18(24)20-3)6-8-23(13-19)12-15-5-4-7-21-11-15/h4-5,7,9,11,14H,6,8,10,12-13H2,1-3H3,(H,20,24)
InChIKeySKQHCNRDGKEKSY-UHFFFAOYSA-N
XLogP2.37
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 118739897) is N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is CNC(=O)C1(Cc2cc(C(C)C)no2)CCN(Cc2cccnc2)C1.
What is the InChIKey of N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is SKQHCNRDGKEKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(2)17-9-16(25-22-17)10-19(18(24)20-3)6-8-23(13-19)12-15-5-4-7-21-11-15/h4-5,7,9,11,14H,6,8,10,12-13H2,1-3H3,(H,20,24).
What are the key properties of N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 118739897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).