N-[2-(diethylamino)ethyl]-4-(1,3-oxazol-4-ylcarbamoylamino)benzamide

C17H23N5O3 — CID 91324654

IUPACN-[2-(diethylamino)ethyl]-4-(1,3-oxazol-4-ylcarbamoylamino)benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2cocn2)cc1
InChIInChI=1S/C17H23N5O3/c1-3-22(4-2)10-9-18-16(23)13-5-7-14(8-6-13)20-17(24)21-15-11-25-12-19-15/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,23)(H2,20,21,24)
InChIKeyCZUHYBBILHSMGK-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.39
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-4-(1,3-oxazol-4-ylcarbamoylamino)benzamide

N-[2-(diethylamino)ethyl]-4-(1,3-oxazol-4-ylcarbamoylamino)benzamide (PubChem CID 91324654) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-(1,3-oxazol-4-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-(1,3-oxazol-4-ylcarbamoylamino)benzamide
PubChem CID91324654
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[2-(diethylamino)ethyl]-4-(1,3-oxazol-4-ylcarbamoylamino)benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2cocn2)cc1
InChIInChI=1S/C17H23N5O3/c1-3-22(4-2)10-9-18-16(23)13-5-7-14(8-6-13)20-17(24)21-15-11-25-12-19-15/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,23)(H2,20,21,24)
InChIKeyCZUHYBBILHSMGK-UHFFFAOYSA-N
XLogP2.39
TPSA99.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)ethyl]-4-(pyridin-3-ylcarbamoylamino)benzamide
CID 142899815
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
4-[(5-bromothiophen-3-yl)carbamoylamino]-N-[2-(diethylamino)ethyl]benzamide
CID 91327378
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4782277
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
N-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 17229819
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 17229741
4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827825
2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
CID 12500967
methyl 4-[4-[2-(diethylamino)ethylcarbamoyl]anilino]-4-oxobutanoate
CID 108797576
4-[[2-(2-aminoethylsulfanyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 84552559

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-(1,3-oxazol-4-ylcarbamoylamino)benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-(1,3-oxazol-4-ylcarbamoylamino)benzamide (CID 91324654) is N-[2-(diethylamino)ethyl]-4-(1,3-oxazol-4-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-(1,3-oxazol-4-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-(1,3-oxazol-4-ylcarbamoylamino)benzamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2cocn2)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-(1,3-oxazol-4-ylcarbamoylamino)benzamide?
The InChIKey is CZUHYBBILHSMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-3-22(4-2)10-9-18-16(23)13-5-7-14(8-6-13)20-17(24)21-15-11-25-12-19-15/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,23)(H2,20,21,24).
What are the key properties of N-[2-(diethylamino)ethyl]-4-(1,3-oxazol-4-ylcarbamoylamino)benzamide?
N-[2-(diethylamino)ethyl]-4-(1,3-oxazol-4-ylcarbamoylamino)benzamide has a molecular weight of 345.40 g/mol, XLogP of 2.39, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-(1,3-oxazol-4-ylcarbamoylamino)benzamide is sourced from PubChem (CID 91324654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).