methyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C15H19N3O4 — CID 87043344

IUPACmethyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)NCc2nc(C)c(C)o2)c1C
InChIInChI=1S/C15H19N3O4/c1-7-12(15(20)21-5)9(3)18-13(7)14(19)16-6-11-17-8(2)10(4)22-11/h18H,6H2,1-5H3,(H,16,19)
InChIKeyAEJQDRQXTAYPMO-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.95
Rot. Bonds4

About methyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

methyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 87043344) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is methyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID87043344
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Namemethyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)NCc2nc(C)c(C)o2)c1C
InChIInChI=1S/C15H19N3O4/c1-7-12(15(20)21-5)9(3)18-13(7)14(19)16-6-11-17-8(2)10(4)22-11/h18H,6H2,1-5H3,(H,16,19)
InChIKeyAEJQDRQXTAYPMO-UHFFFAOYSA-N
XLogP1.95
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

methyl 2,4-dimethyl-5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrrole-3-carboxylate
CID 18105528
methyl 5-[2-(diethylamino)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 29368914
methyl 2,4-dimethyl-5-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate
CID 17409445
methyl 5-[(3,4-dimethoxyphenyl)methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 27647414
methyl 5-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 71912470
methyl 5-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 17432796
methyl 5-[2-(4-methoxyphenyl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 51157865
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103890358
methyl 2,4-dimethyl-5-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoyl]-1H-pyrrole-3-carboxylate
CID 31968120
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 82594349
methyl 2-ethyl-4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate
CID 138995343
5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide
CID 106368719

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 87043344) is methyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(C(=O)NCc2nc(C)c(C)o2)c1C.
What is the InChIKey of methyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is AEJQDRQXTAYPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-7-12(15(20)21-5)9(3)18-13(7)14(19)16-6-11-17-8(2)10(4)22-11/h18H,6H2,1-5H3,(H,16,19).
What are the key properties of methyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
methyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 87043344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).