N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

C23H28N4O3 — CID 51628820

IUPACN-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)o3)N3CCN(C)CC3)no2)cc1
InChIInChI=1S/C23H28N4O3/c1-16-4-7-18(8-5-16)22-14-19(25-30-22)23(28)24-15-20(21-9-6-17(2)29-21)27-12-10-26(3)11-13-27/h4-9,14,20H,10-13,15H2,1-3H3,(H,24,28)/t20-/m1/s1
InChIKeyXKCANDMMFQLQMX-HXUWFJFHSA-N
MW408.50 g/mol
LogP3.27
Rot. Bonds6

About N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 51628820) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID51628820
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)o3)N3CCN(C)CC3)no2)cc1
InChIInChI=1S/C23H28N4O3/c1-16-4-7-18(8-5-16)22-14-19(25-30-22)23(28)24-15-20(21-9-6-17(2)29-21)27-12-10-26(3)11-13-27/h4-9,14,20H,10-13,15H2,1-3H3,(H,24,28)/t20-/m1/s1
InChIKeyXKCANDMMFQLQMX-HXUWFJFHSA-N
XLogP3.27
TPSA74.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 22509666
N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 146052722
N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
CID 51628808
N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 22509660
5-(4-bromophenyl)-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 26835251
5-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 45155419
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 26833968
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;hydrochloride
CID 146052759
5-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 45133034
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 43843501
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-5-[4-(2-methylpropoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 35582828
5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 39867354

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (CID 51628820) is N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)o3)N3CCN(C)CC3)no2)cc1.
What is the InChIKey of N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XKCANDMMFQLQMX-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-16-4-7-18(8-5-16)22-14-19(25-30-22)23(28)24-15-20(21-9-6-17(2)29-21)27-12-10-26(3)11-13-27/h4-9,14,20H,10-13,15H2,1-3H3,(H,24,28)/t20-/m1/s1.
What are the key properties of N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51628820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).