1-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)cyclopropane-1-carboxamide

C9H13N3O2 — CID 106416951

IUPAC1-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCc2ccno2)CC1
InChIInChI=1S/C9H13N3O2/c10-6-9(2-3-9)8(13)11-5-7-1-4-12-14-7/h1,4H,2-3,5-6,10H2,(H,11,13)
InChIKeyCEIWBZCVKQMJPH-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.03
Rot. Bonds4

About 1-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 106416951) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)cyclopropane-1-carboxamide
PubChem CID106416951
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCc2ccno2)CC1
InChIInChI=1S/C9H13N3O2/c10-6-9(2-3-9)8(13)11-5-7-1-4-12-14-7/h1,4H,2-3,5-6,10H2,(H,11,13)
InChIKeyCEIWBZCVKQMJPH-UHFFFAOYSA-N
XLogP0.03
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(1,2-oxazol-5-ylmethyl)piperidine-4-carboxamide
CID 106416927
1-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide
CID 106421900
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80587002
N-(1,2-oxazol-5-ylmethyl)acetamide
CID 103939766
1-tert-butyl-3-(1,2-oxazol-5-ylmethyl)urea
CID 106415604
1-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopropane-1-carboxamide
CID 106396843
2-(1,2-oxazol-5-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106421097
4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106413498
cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106414836
1-butyl-3-(1,2-oxazol-5-ylmethyl)urea
CID 106415574
1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 80588402
2-(1,2-oxazol-5-ylmethylamino)acetamide
CID 103605544

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)cyclopropane-1-carboxamide (CID 106416951) is 1-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)cyclopropane-1-carboxamide is NCC1(C(=O)NCc2ccno2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is CEIWBZCVKQMJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-6-9(2-3-9)8(13)11-5-7-1-4-12-14-7/h1,4H,2-3,5-6,10H2,(H,11,13).
What are the key properties of 1-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 106416951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).