4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carboxamide

C28H29N5O4 — CID 70802994

IUPAC4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(=O)NCc3cccc(Oc4ccccn4)c3)CC2)ccc1-c1cnc(C)o1
InChIInChI=1S/C28H29N5O4/c1-20-30-19-26(36-20)24-10-9-22(17-25(24)35-2)32-12-14-33(15-13-32)28(34)31-18-21-6-5-7-23(16-21)37-27-8-3-4-11-29-27/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,31,34)
InChIKeySYBKURQLGZKVBS-UHFFFAOYSA-N
MW499.57 g/mol
LogP4.88
Rot. Bonds7

About 4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carboxamide

4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 70802994) has the molecular formula C28H29N5O4 and a molecular weight of 499.57 g/mol. Its IUPAC name is 4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID70802994
Molecular FormulaC28H29N5O4
Molecular Weight499.57 g/mol
Exact Mass499.22
IUPAC Name4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(=O)NCc3cccc(Oc4ccccn4)c3)CC2)ccc1-c1cnc(C)o1
InChIInChI=1S/C28H29N5O4/c1-20-30-19-26(36-20)24-10-9-22(17-25(24)35-2)32-12-14-33(15-13-32)28(34)31-18-21-6-5-7-23(16-21)37-27-8-3-4-11-29-27/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,31,34)
InChIKeySYBKURQLGZKVBS-UHFFFAOYSA-N
XLogP4.88
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-[(2,4,6-trimethylphenyl)methyl]-1,4-diazepane-1-carboxamide
CID 70802989
4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 70802523
N-[(2,5-difluorophenyl)methyl]-4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,4-diazepane-1-carboxamide
CID 70802653
2-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-7-oxo-1,4-diazepan-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 70802556
N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 110363825
2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one
CID 70802953
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,4-diazepan-5-one
CID 70802884
3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 90596216
N-[(3,4-dimethoxyphenyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 38210733
4-[3-ethoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 70802869
2-(benzimidazol-1-yl)-3-methoxy-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one
CID 70802785
N-benzyl-N-[2-(dimethylamino)ethyl]-2-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-7-oxo-1,4-diazepan-1-yl]acetamide
CID 70802885

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carboxamide (CID 70802994) is 4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carboxamide is COc1cc(N2CCN(C(=O)NCc3cccc(Oc4ccccn4)c3)CC2)ccc1-c1cnc(C)o1.
What is the InChIKey of 4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is SYBKURQLGZKVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O4/c1-20-30-19-26(36-20)24-10-9-22(17-25(24)35-2)32-12-14-33(15-13-32)28(34)31-18-21-6-5-7-23(16-21)37-27-8-3-4-11-29-27/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,31,34).
What are the key properties of 4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carboxamide?
4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 499.57 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 70802994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).