1-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-carboxamide

C12H17N5O2 — CID 106388320

IUPAC1-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2cn(CCN)cn2)o1
InChIInChI=1S/C12H17N5O2/c1-8-5-14-12(19-8)9(2)16-11(18)10-6-17(4-3-13)7-15-10/h5-7,9H,3-4,13H2,1-2H3,(H,16,18)
InChIKeyYPZDBJYTSJPDQM-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.63
Rot. Bonds5

About 1-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-carboxamide

1-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-carboxamide (PubChem CID 106388320) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-carboxamide
PubChem CID106388320
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name1-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2cn(CCN)cn2)o1
InChIInChI=1S/C12H17N5O2/c1-8-5-14-12(19-8)9(2)16-11(18)10-6-17(4-3-13)7-15-10/h5-7,9H,3-4,13H2,1-2H3,(H,16,18)
InChIKeyYPZDBJYTSJPDQM-UHFFFAOYSA-N
XLogP0.63
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-carboxamide
CID 114158942
1-(2-aminoethyl)-N-[1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
CID 107497612
1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide
CID 107499699
4-amino-1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-3-carboxamide
CID 114182277
1-(2-aminoethyl)-N-[1-(3,4-dichlorophenyl)ethyl]imidazole-4-carboxamide
CID 107497624
4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid
CID 107498788
1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide
CID 107498166
1-(2-aminoethyl)-N-(4-methylsulfanylbutan-2-yl)imidazole-4-carboxamide
CID 107499731
methyl (2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-4-methylpentanoate
CID 107499600
2-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 106388301
1-(2-aminoethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)imidazole-4-carboxamide
CID 107499798
1-(2-aminoethyl)-N-(2-methyl-1-phenylpropyl)imidazole-4-carboxamide
CID 107496348

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-carboxamide (CID 106388320) is 1-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-carboxamide is Cc1cnc(C(C)NC(=O)c2cn(CCN)cn2)o1.
What is the InChIKey of 1-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-carboxamide?
The InChIKey is YPZDBJYTSJPDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8-5-14-12(19-8)9(2)16-11(18)10-6-17(4-3-13)7-15-10/h5-7,9H,3-4,13H2,1-2H3,(H,16,18).
What are the key properties of 1-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-carboxamide?
1-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 106388320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).