N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide

C20H23N5O3 — CID 97123755

IUPACN-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccc([C@@H](CNC(=O)c2cccc(-n3cnnc3)c2)N2CCOCC2)o1
InChIInChI=1S/C20H23N5O3/c1-15-5-6-19(28-15)18(24-7-9-27-10-8-24)12-21-20(26)16-3-2-4-17(11-16)25-13-22-23-14-25/h2-6,11,13-14,18H,7-10,12H2,1H3,(H,21,26)/t18-/m1/s1
InChIKeyNXWPCDXEMNLTJT-GOSISDBHSA-N
MW381.44 g/mol
LogP1.97
Rot. Bonds6

About N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide

N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide (PubChem CID 97123755) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide
PubChem CID97123755
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccc([C@@H](CNC(=O)c2cccc(-n3cnnc3)c2)N2CCOCC2)o1
InChIInChI=1S/C20H23N5O3/c1-15-5-6-19(28-15)18(24-7-9-27-10-8-24)12-21-20(26)16-3-2-4-17(11-16)25-13-22-23-14-25/h2-6,11,13-14,18H,7-10,12H2,1H3,(H,21,26)/t18-/m1/s1
InChIKeyNXWPCDXEMNLTJT-GOSISDBHSA-N
XLogP1.97
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18164168
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55452026
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-4-carboxamide
CID 18164203
2-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,3-benzoxazole-6-carboxamide
CID 99942348
5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide
CID 42895264
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide
CID 18168885
3,5-diacetamido-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 26010903
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]furan-3-carboxamide
CID 18164174
4-chloro-1-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-3-carboxamide
CID 74232564
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide
CID 24643832
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyridine-2-carboxamide
CID 51074519
4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 24643793

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide (CID 97123755) is N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide is Cc1ccc([C@@H](CNC(=O)c2cccc(-n3cnnc3)c2)N2CCOCC2)o1.
What is the InChIKey of N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is NXWPCDXEMNLTJT-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-15-5-6-19(28-15)18(24-7-9-27-10-8-24)12-21-20(26)16-3-2-4-17(11-16)25-13-22-23-14-25/h2-6,11,13-14,18H,7-10,12H2,1H3,(H,21,26)/t18-/m1/s1.
What are the key properties of N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide?
N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 381.44 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 97123755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).