N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide

C16H23N5O3 — CID 83283079

IUPACN-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCN(C)CCNC(=O)CN(C)C(=O)c1cc(-c2cccn2C)on1
InChIInChI=1S/C16H23N5O3/c1-19(2)9-7-17-15(22)11-21(4)16(23)12-10-14(24-18-12)13-6-5-8-20(13)3/h5-6,8,10H,7,9,11H2,1-4H3,(H,17,22)
InChIKeyFWKDYZNBGLIJHY-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.43
Rot. Bonds7

About N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide

N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 83283079) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID83283079
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC NameN-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCN(C)CCNC(=O)CN(C)C(=O)c1cc(-c2cccn2C)on1
InChIInChI=1S/C16H23N5O3/c1-19(2)9-7-17-15(22)11-21(4)16(23)12-10-14(24-18-12)13-6-5-8-20(13)3/h5-6,8,10H,7,9,11H2,1-4H3,(H,17,22)
InChIKeyFWKDYZNBGLIJHY-UHFFFAOYSA-N
XLogP0.43
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide
CID 139676207
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42813666
[5-(1-methylpyrrol-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
CID 139676239
N-[2-(dimethylamino)ethyl]-2-(N-methylanilino)acetamide
CID 108994641
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305505
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 16878599
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 90488192
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 42882464
N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 93140630
N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336121
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methylpropyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
CID 51070802

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide (CID 83283079) is N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide is CN(C)CCNC(=O)CN(C)C(=O)c1cc(-c2cccn2C)on1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is FWKDYZNBGLIJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-19(2)9-7-17-15(22)11-21(4)16(23)12-10-14(24-18-12)13-6-5-8-20(13)3/h5-6,8,10H,7,9,11H2,1-4H3,(H,17,22).
What are the key properties of N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide?
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 83283079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).