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

C9H13N3O2 — CID 82237400

IUPAC2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1cc(CNC(=O)C2CC2N)on1
InChIInChI=1S/C9H13N3O2/c1-5-2-6(14-12-5)4-11-9(13)7-3-8(7)10/h2,7-8H,3-4,10H2,1H3,(H,11,13)
InChIKeySWAOHOLNZDHGTP-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.05
Rot. Bonds3

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

2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 82237400) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide
PubChem CID82237400
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1cc(CNC(=O)C2CC2N)on1
InChIInChI=1S/C9H13N3O2/c1-5-2-6(14-12-5)4-11-9(13)7-3-8(7)10/h2,7-8H,3-4,10H2,1H3,(H,11,13)
InChIKeySWAOHOLNZDHGTP-UHFFFAOYSA-N
XLogP-0.05
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 53017058
3-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119755255
ethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 62189875
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017221
methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 115598489
(4S)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 97014181
N-[(3-methyl-1,2-oxazol-5-yl)methyl]azepane-2-carboxamide
CID 64569142
1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017228
(2R,3S)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120928446
2-hydroxyethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 79348723
(3S,4S)-4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 98542845
1-(cyclooctylmethyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 71881577

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide (CID 82237400) is 2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide is Cc1cc(CNC(=O)C2CC2N)on1.
What is the InChIKey of 2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is SWAOHOLNZDHGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5-2-6(14-12-5)4-11-9(13)7-3-8(7)10/h2,7-8H,3-4,10H2,1H3,(H,11,13).
What are the key properties of 2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide?
2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 195.22 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 82237400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).