4-amino-1-cyclopropyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrole-2-carboxamide

C14H18N4O2 — CID 106368478

IUPAC4-amino-1-cyclopropyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrole-2-carboxamide
SMILESCCc1cnc(CNC(=O)c2cc(N)cn2C2CC2)o1
InChIInChI=1S/C14H18N4O2/c1-2-11-6-16-13(20-11)7-17-14(19)12-5-9(15)8-18(12)10-3-4-10/h5-6,8,10H,2-4,7,15H2,1H3,(H,17,19)
InChIKeyMLWLYVGSXCIELT-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.89
Rot. Bonds5

About 4-amino-1-cyclopropyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrole-2-carboxamide (PubChem CID 106368478) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrole-2-carboxamide
PubChem CID106368478
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-amino-1-cyclopropyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrole-2-carboxamide
SMILESCCc1cnc(CNC(=O)c2cc(N)cn2C2CC2)o1
InChIInChI=1S/C14H18N4O2/c1-2-11-6-16-13(20-11)7-17-14(19)12-5-9(15)8-18(12)10-3-4-10/h5-6,8,10H,2-4,7,15H2,1H3,(H,17,19)
InChIKeyMLWLYVGSXCIELT-UHFFFAOYSA-N
XLogP1.89
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide
CID 106899099
4-amino-1-cyclopropyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
CID 115988879
4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide
CID 43642445
4-amino-1-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
CID 82881718
4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43643527
4-amino-1-cyclopropyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 106391502
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide
CID 106377037
4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide
CID 43644088
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide
CID 106368562
4-amino-1-cyclopropyl-N-(4-ethyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide
CID 104616599
4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide
CID 64569791
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 106368458

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrole-2-carboxamide (CID 106368478) is 4-amino-1-cyclopropyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrole-2-carboxamide is CCc1cnc(CNC(=O)c2cc(N)cn2C2CC2)o1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is MLWLYVGSXCIELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-11-6-16-13(20-11)7-17-14(19)12-5-9(15)8-18(12)10-3-4-10/h5-6,8,10H,2-4,7,15H2,1H3,(H,17,19).
What are the key properties of 4-amino-1-cyclopropyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 106368478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).