4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrrole-2-carboxamide

C14H20N4O2 — CID 106368803

IUPAC4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C14H20N4O2/c1-4-5-18-8-11(15)6-12(18)14(19)16-7-13-17-9(2)10(3)20-13/h6,8H,4-5,7,15H2,1-3H3,(H,16,19)
InChIKeyGSKLENJIZWKHTP-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.02
Rot. Bonds5

About 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrrole-2-carboxamide

4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrrole-2-carboxamide (PubChem CID 106368803) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrrole-2-carboxamide
PubChem CID106368803
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C14H20N4O2/c1-4-5-18-8-11(15)6-12(18)14(19)16-7-13-17-9(2)10(3)20-13/h6,8H,4-5,7,15H2,1-3H3,(H,16,19)
InChIKeyGSKLENJIZWKHTP-UHFFFAOYSA-N
XLogP2.02
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 79225029
4-amino-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 55081690
4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 83107929
4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 43643225
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 62223456
4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 106391701
4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 61117906
4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide
CID 61139515
4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide
CID 107411013
4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 54903625
4-amino-N-(2-hydroxy-2-methylpentyl)-1-propylpyrrole-2-carboxamide
CID 106289281
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide
CID 106377408

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrrole-2-carboxamide (CID 106368803) is 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NCc1nc(C)c(C)o1.
What is the InChIKey of 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is GSKLENJIZWKHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-5-18-8-11(15)6-12(18)14(19)16-7-13-17-9(2)10(3)20-13/h6,8H,4-5,7,15H2,1-3H3,(H,16,19).
What are the key properties of 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrrole-2-carboxamide?
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 106368803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).