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

C22H28N4O4 — CID 53168463

IUPACN-(3-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(c3nc(C(=O)N4CCCC4)c(C)o3)CC2)c1
InChIInChI=1S/C22H28N4O4/c1-15-19(21(27)25-10-3-4-11-25)24-20(30-15)16-8-12-26(13-9-16)22(28)23-17-6-5-7-18(14-17)29-2/h5-7,14,16H,3-4,8-13H2,1-2H3,(H,23,28)
InChIKeyXQAASRRFMHVTKS-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.64
Rot. Bonds4

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

N-(3-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (PubChem CID 53168463) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
PubChem CID53168463
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC NameN-(3-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(c3nc(C(=O)N4CCCC4)c(C)o3)CC2)c1
InChIInChI=1S/C22H28N4O4/c1-15-19(21(27)25-10-3-4-11-25)24-20(30-15)16-8-12-26(13-9-16)22(28)23-17-6-5-7-18(14-17)29-2/h5-7,14,16H,3-4,8-13H2,1-2H3,(H,23,28)
InChIKeyXQAASRRFMHVTKS-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-(3-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (CID 53168463) is N-(3-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is COc1cccc(NC(=O)N2CCC(c3nc(C(=O)N4CCCC4)c(C)o3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The InChIKey is XQAASRRFMHVTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-15-19(21(27)25-10-3-4-11-25)24-20(30-15)16-8-12-26(13-9-16)22(28)23-17-6-5-7-18(14-17)29-2/h5-7,14,16H,3-4,8-13H2,1-2H3,(H,23,28).
What are the key properties of N-(3-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
N-(3-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-(3-methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 53168463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).