N-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide

C19H26N4O3 — CID 51133123

IUPACN-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCn1c(C)cc(C(=O)N2CCC(NC(=O)c3cc(C)no3)CC2)c1C
InChIInChI=1S/C19H26N4O3/c1-5-23-13(3)11-16(14(23)4)19(25)22-8-6-15(7-9-22)20-18(24)17-10-12(2)21-26-17/h10-11,15H,5-9H2,1-4H3,(H,20,24)
InChIKeyOEBFWUXUSCNAPO-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.46
Rot. Bonds4

About N-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide

N-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 51133123) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID51133123
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCn1c(C)cc(C(=O)N2CCC(NC(=O)c3cc(C)no3)CC2)c1C
InChIInChI=1S/C19H26N4O3/c1-5-23-13(3)11-16(14(23)4)19(25)22-8-6-15(7-9-22)20-18(24)17-10-12(2)21-26-17/h10-11,15H,5-9H2,1-4H3,(H,20,24)
InChIKeyOEBFWUXUSCNAPO-UHFFFAOYSA-N
XLogP2.46
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-N-[(1R)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide
CID 89726880
US10343992, Example 64
CID 122590440
US10343992, Example 65
CID 122590537
US10343992, Example 273
CID 122590562
US10343992, Example 270
CID 122590607
(2E)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]-N-pyridin-4-ylacetamide
CID 118735988
3-propan-2-yl-N-[[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 153635937
N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 56665722
(3-Methyl-1,2-oxazol-5-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
CID 56665738
(2Z)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(2-oxo-1-pyridin-4-ylindol-3-ylidene)acetamide
CID 9925041
US10689345, Example 64
CID 122598161
US10689345, Example 270
CID 155803051

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide (CID 51133123) is N-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide is CCn1c(C)cc(C(=O)N2CCC(NC(=O)c3cc(C)no3)CC2)c1C.
What is the InChIKey of N-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is OEBFWUXUSCNAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-5-23-13(3)11-16(14(23)4)19(25)22-8-6-15(7-9-22)20-18(24)17-10-12(2)21-26-17/h10-11,15H,5-9H2,1-4H3,(H,20,24).
What are the key properties of N-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 51133123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).