4-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide

C12H13N5O4 — CID 62688512

IUPAC4-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNC(=O)CCOc1ccccc1NC(=O)c1nonc1N
InChIInChI=1S/C12H13N5O4/c13-9(18)5-6-20-8-4-2-1-3-7(8)15-12(19)10-11(14)17-21-16-10/h1-4H,5-6H2,(H2,13,18)(H2,14,17)(H,15,19)
InChIKeyQFBABUXKNVXTBO-UHFFFAOYSA-N
MW291.27 g/mol
LogP0.16
Rot. Bonds6

About 4-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62688512) has the molecular formula C12H13N5O4 and a molecular weight of 291.27 g/mol. Its IUPAC name is 4-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID62688512
Molecular FormulaC12H13N5O4
Molecular Weight291.27 g/mol
Exact Mass291.10
IUPAC Name4-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNC(=O)CCOc1ccccc1NC(=O)c1nonc1N
InChIInChI=1S/C12H13N5O4/c13-9(18)5-6-20-8-4-2-1-3-7(8)15-12(19)10-11(14)17-21-16-10/h1-4H,5-6H2,(H2,13,18)(H2,14,17)(H,15,19)
InChIKeyQFBABUXKNVXTBO-UHFFFAOYSA-N
XLogP0.16
TPSA146.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-(2-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688483
4-amino-N-[2-[(dimethylamino)methyl]phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 55103614
4-amino-N-[2-(ethoxymethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62685947
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947
N-[2-(3-amino-3-oxopropoxy)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55768565
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014367
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide
CID 79813998
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 103028884
N-[2-(3-amino-3-oxopropoxy)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 86999840
3-(2-aminophenoxy)propanamide
CID 39869131
N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide
CID 62831978
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide
CID 43712567

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide (CID 62688512) is 4-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide is NC(=O)CCOc1ccccc1NC(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is QFBABUXKNVXTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O4/c13-9(18)5-6-20-8-4-2-1-3-7(8)15-12(19)10-11(14)17-21-16-10/h1-4H,5-6H2,(H2,13,18)(H2,14,17)(H,15,19).
What are the key properties of 4-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 291.27 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62688512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).