N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylpropanamide

C20H27N3O2 — CID 24718092

IUPACN-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylpropanamide
SMILESCCC(=O)N(Cc1c(-c2ccccc2)noc1N1CCCC1)C(C)C
InChIInChI=1S/C20H27N3O2/c1-4-18(24)23(15(2)3)14-17-19(16-10-6-5-7-11-16)21-25-20(17)22-12-8-9-13-22/h5-7,10-11,15H,4,8-9,12-14H2,1-3H3
InChIKeyIZTAVPUWTSIGEJ-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.09
Rot. Bonds6

About N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylpropanamide

N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylpropanamide (PubChem CID 24718092) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylpropanamide
PubChem CID24718092
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylpropanamide
SMILESCCC(=O)N(Cc1c(-c2ccccc2)noc1N1CCCC1)C(C)C
InChIInChI=1S/C20H27N3O2/c1-4-18(24)23(15(2)3)14-17-19(16-10-6-5-7-11-16)21-25-20(17)22-12-8-9-13-22/h5-7,10-11,15H,4,8-9,12-14H2,1-3H3
InChIKeyIZTAVPUWTSIGEJ-UHFFFAOYSA-N
XLogP4.09
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylpropanamide?
The IUPAC name of N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylpropanamide (CID 24718092) is N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylpropanamide?
The canonical SMILES for N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylpropanamide is CCC(=O)N(Cc1c(-c2ccccc2)noc1N1CCCC1)C(C)C.
What is the InChIKey of N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylpropanamide?
The InChIKey is IZTAVPUWTSIGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-18(24)23(15(2)3)14-17-19(16-10-6-5-7-11-16)21-25-20(17)22-12-8-9-13-22/h5-7,10-11,15H,4,8-9,12-14H2,1-3H3.
What are the key properties of N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylpropanamide?
N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylpropanamide has a molecular weight of 341.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 24718092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).