5-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-2-carboxamide

C11H13N3O3 — CID 103811606

IUPAC5-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-2-carboxamide
SMILESCc1cnc(CNC(=O)c2ccc(CN)o2)o1
InChIInChI=1S/C11H13N3O3/c1-7-5-13-10(16-7)6-14-11(15)9-3-2-8(4-12)17-9/h2-3,5H,4,6,12H2,1H3,(H,14,15)
InChIKeyIGRBVRGERHBIFC-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.96
Rot. Bonds4

About 5-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-2-carboxamide

5-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-2-carboxamide (PubChem CID 103811606) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-2-carboxamide
PubChem CID103811606
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name5-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-2-carboxamide
SMILESCc1cnc(CNC(=O)c2ccc(CN)o2)o1
InChIInChI=1S/C11H13N3O3/c1-7-5-13-10(16-7)6-14-11(15)9-3-2-8(4-12)17-9/h2-3,5H,4,6,12H2,1H3,(H,14,15)
InChIKeyIGRBVRGERHBIFC-UHFFFAOYSA-N
XLogP0.96
TPSA94.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 83622965
5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 106368573
2-amino-6-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106368567
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylacetamide
CID 110660350
2-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106377528
3-(4-aminophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106368624
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
CID 106377156
5-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazine-2-carboxamide
CID 106377240
4-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-nitrobenzamide
CID 71864161
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106375720
4-(3-aminoprop-1-ynyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106376176
5-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2-carboxamide
CID 114180964

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-2-carboxamide (CID 103811606) is 5-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-2-carboxamide is Cc1cnc(CNC(=O)c2ccc(CN)o2)o1.
What is the InChIKey of 5-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-2-carboxamide?
The InChIKey is IGRBVRGERHBIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7-5-13-10(16-7)6-14-11(15)9-3-2-8(4-12)17-9/h2-3,5H,4,6,12H2,1H3,(H,14,15).
What are the key properties of 5-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-2-carboxamide?
5-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-2-carboxamide has a molecular weight of 235.24 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 103811606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).