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

C22H28N4O5 — CID 71837563

IUPACN-(4-methoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3nc(C(=O)N4CCOCC4)c(C)o3)CC2)cc1
InChIInChI=1S/C22H28N4O5/c1-15-19(21(27)25-11-13-30-14-12-25)24-20(31-15)16-7-9-26(10-8-16)22(28)23-17-3-5-18(29-2)6-4-17/h3-6,16H,7-14H2,1-2H3,(H,23,28)
InChIKeyRDUIFUXAAVULLD-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.88
Rot. Bonds4

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

N-(4-methoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (PubChem CID 71837563) has the molecular formula C22H28N4O5 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
PubChem CID71837563
Molecular FormulaC22H28N4O5
Molecular Weight428.49 g/mol
Exact Mass428.21
IUPAC NameN-(4-methoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3nc(C(=O)N4CCOCC4)c(C)o3)CC2)cc1
InChIInChI=1S/C22H28N4O5/c1-15-19(21(27)25-11-13-30-14-12-25)24-20(31-15)16-7-9-26(10-8-16)22(28)23-17-3-5-18(29-2)6-4-17/h3-6,16H,7-14H2,1-2H3,(H,23,28)
InChIKeyRDUIFUXAAVULLD-UHFFFAOYSA-N
XLogP2.88
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (CID 71837563) is N-(4-methoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(c3nc(C(=O)N4CCOCC4)c(C)o3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The InChIKey is RDUIFUXAAVULLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5/c1-15-19(21(27)25-11-13-30-14-12-25)24-20(31-15)16-7-9-26(10-8-16)22(28)23-17-3-5-18(29-2)6-4-17/h3-6,16H,7-14H2,1-2H3,(H,23,28).
What are the key properties of N-(4-methoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
N-(4-methoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71837563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).