N-(2-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide

C22H28N4O4 — CID 71837589

IUPACN-(2-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(c2nc(C(=O)N3CCCC3)c(C)o2)CC1
InChIInChI=1S/C22H28N4O4/c1-15-19(21(27)25-11-5-6-12-25)24-20(30-15)16-9-13-26(14-10-16)22(28)23-17-7-3-4-8-18(17)29-2/h3-4,7-8,16H,5-6,9-14H2,1-2H3,(H,23,28)
InChIKeyNTWJIRANJWBZPX-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.64
Rot. Bonds4

About N-(2-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide

N-(2-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (PubChem CID 71837589) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
PubChem CID71837589
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC NameN-(2-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(c2nc(C(=O)N3CCCC3)c(C)o2)CC1
InChIInChI=1S/C22H28N4O4/c1-15-19(21(27)25-11-5-6-12-25)24-20(30-15)16-9-13-26(14-10-16)22(28)23-17-7-3-4-8-18(17)29-2/h3-4,7-8,16H,5-6,9-14H2,1-2H3,(H,23,28)
InChIKeyNTWJIRANJWBZPX-UHFFFAOYSA-N
XLogP3.64
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (CID 71837589) is N-(2-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is COc1ccccc1NC(=O)N1CCC(c2nc(C(=O)N3CCCC3)c(C)o2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The InChIKey is NTWJIRANJWBZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-15-19(21(27)25-11-5-6-12-25)24-20(30-15)16-9-13-26(14-10-16)22(28)23-17-7-3-4-8-18(17)29-2/h3-4,7-8,16H,5-6,9-14H2,1-2H3,(H,23,28).
What are the key properties of N-(2-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
N-(2-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71837589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).