5-methyl-2-(1-methylpyrazol-4-yl)-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride

C13H18ClN5O2 — CID 119449966

IUPAC5-methyl-2-(1-methylpyrazol-4-yl)-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)NC1CCNC1.Cl
InChIInChI=1S/C13H17N5O2.ClH/c1-8-11(12(19)16-10-3-4-14-6-10)17-13(20-8)9-5-15-18(2)7-9;/h5,7,10,14H,3-4,6H2,1-2H3,(H,16,19);1H
InChIKeyFJWQFAOJZFGASS-UHFFFAOYSA-N
MW311.77 g/mol
LogP0.90
Rot. Bonds3

About 5-methyl-2-(1-methylpyrazol-4-yl)-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride

5-methyl-2-(1-methylpyrazol-4-yl)-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride (PubChem CID 119449966) has the molecular formula C13H18ClN5O2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 5-methyl-2-(1-methylpyrazol-4-yl)-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-2-(1-methylpyrazol-4-yl)-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride
PubChem CID119449966
Molecular FormulaC13H18ClN5O2
Molecular Weight311.77 g/mol
Exact Mass311.11
IUPAC Name5-methyl-2-(1-methylpyrazol-4-yl)-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)NC1CCNC1.Cl
InChIInChI=1S/C13H17N5O2.ClH/c1-8-11(12(19)16-10-3-4-14-6-10)17-13(20-8)9-5-15-18(2)7-9;/h5,7,10,14H,3-4,6H2,1-2H3,(H,16,19);1H
InChIKeyFJWQFAOJZFGASS-UHFFFAOYSA-N
XLogP0.90
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylpyrazol-4-yl)-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-2-(1-methylpyrazol-4-yl)-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride (CID 119449966) is 5-methyl-2-(1-methylpyrazol-4-yl)-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-2-(1-methylpyrazol-4-yl)-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-2-(1-methylpyrazol-4-yl)-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride is Cc1oc(-c2cnn(C)c2)nc1C(=O)NC1CCNC1.Cl.
What is the InChIKey of 5-methyl-2-(1-methylpyrazol-4-yl)-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride?
The InChIKey is FJWQFAOJZFGASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2.ClH/c1-8-11(12(19)16-10-3-4-14-6-10)17-13(20-8)9-5-15-18(2)7-9;/h5,7,10,14H,3-4,6H2,1-2H3,(H,16,19);1H.
What are the key properties of 5-methyl-2-(1-methylpyrazol-4-yl)-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride?
5-methyl-2-(1-methylpyrazol-4-yl)-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride has a molecular weight of 311.77 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylpyrazol-4-yl)-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119449966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).