N-(2-aminoethyl)-3-(1,5-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C11H17N5O2 — CID 25247777

IUPACN-(2-aminoethyl)-3-(1,5-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1c(C2=NOC(C(=O)NCCN)C2)cnn1C
InChIInChI=1S/C11H17N5O2/c1-7-8(6-14-16(7)2)9-5-10(18-15-9)11(17)13-4-3-12/h6,10H,3-5,12H2,1-2H3,(H,13,17)
InChIKeyUMUAZGBVJGKHDT-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.70
Rot. Bonds4

About N-(2-aminoethyl)-3-(1,5-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(2-aminoethyl)-3-(1,5-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 25247777) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(1,5-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(1,5-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID25247777
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC NameN-(2-aminoethyl)-3-(1,5-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1c(C2=NOC(C(=O)NCCN)C2)cnn1C
InChIInChI=1S/C11H17N5O2/c1-7-8(6-14-16(7)2)9-5-10(18-15-9)11(17)13-4-3-12/h6,10H,3-5,12H2,1-2H3,(H,13,17)
InChIKeyUMUAZGBVJGKHDT-UHFFFAOYSA-N
XLogP-0.70
TPSA94.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3241275
(5R)-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carbonyl chloride
CID 97032907
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491440
N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493807
3-(4-methylphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 83288373
N-butyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095813
(5R)-3-(2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 135829519
N-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide
CID 106033656
5-[2-(4-methylpyrazol-1-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 114131892
N-(1,3-benzodioxol-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3237410
(5R)-3-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 92666644
(5R)-3-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 92734588

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(1,5-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-3-(1,5-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 25247777) is N-(2-aminoethyl)-3-(1,5-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(1,5-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-3-(1,5-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1c(C2=NOC(C(=O)NCCN)C2)cnn1C.
What is the InChIKey of N-(2-aminoethyl)-3-(1,5-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is UMUAZGBVJGKHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-7-8(6-14-16(7)2)9-5-10(18-15-9)11(17)13-4-3-12/h6,10H,3-5,12H2,1-2H3,(H,13,17).
What are the key properties of N-(2-aminoethyl)-3-(1,5-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(2-aminoethyl)-3-(1,5-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(1,5-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 25247777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).