2-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1,3-benzoxazole-5-carboxamide

C20H23N5O3 — CID 71846258

IUPAC2-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1,3-benzoxazole-5-carboxamide
SMILESCN(C)C(=O)Nc1cccc(CNC(=O)c2ccc3oc(N(C)C)nc3c2)c1
InChIInChI=1S/C20H23N5O3/c1-24(2)19(27)22-15-7-5-6-13(10-15)12-21-18(26)14-8-9-17-16(11-14)23-20(28-17)25(3)4/h5-11H,12H2,1-4H3,(H,21,26)(H,22,27)
InChIKeyYOCJADPSJUODAV-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.92
Rot. Bonds5

About 2-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1,3-benzoxazole-5-carboxamide

2-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1,3-benzoxazole-5-carboxamide (PubChem CID 71846258) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1,3-benzoxazole-5-carboxamide
PubChem CID71846258
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1,3-benzoxazole-5-carboxamide
SMILESCN(C)C(=O)Nc1cccc(CNC(=O)c2ccc3oc(N(C)C)nc3c2)c1
InChIInChI=1S/C20H23N5O3/c1-24(2)19(27)22-15-7-5-6-13(10-15)12-21-18(26)14-8-9-17-16(11-14)23-20(28-17)25(3)4/h5-11H,12H2,1-4H3,(H,21,26)(H,22,27)
InChIKeyYOCJADPSJUODAV-UHFFFAOYSA-N
XLogP2.92
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110794896
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 110387930
5-[[3-(dimethylcarbamoylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822057
3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide
CID 71929848
2-chloro-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100787102
1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 119334714
(2E,4E)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]hexa-2,4-dienamide
CID 75407731
2-methyl-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide
CID 110387916
2-chloro-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100787087
4-chloro-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-(dimethylsulfamoyl)benzamide
CID 71847465
N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
CID 54323644
N-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
CID 54358571

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1,3-benzoxazole-5-carboxamide (CID 71846258) is 2-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1,3-benzoxazole-5-carboxamide is CN(C)C(=O)Nc1cccc(CNC(=O)c2ccc3oc(N(C)C)nc3c2)c1.
What is the InChIKey of 2-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1,3-benzoxazole-5-carboxamide?
The InChIKey is YOCJADPSJUODAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-24(2)19(27)22-15-7-5-6-13(10-15)12-21-18(26)14-8-9-17-16(11-14)23-20(28-17)25(3)4/h5-11H,12H2,1-4H3,(H,21,26)(H,22,27).
What are the key properties of 2-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1,3-benzoxazole-5-carboxamide?
2-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1,3-benzoxazole-5-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 71846258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).