N-(methylcarbamoyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanamide

C9H15N5O3 — CID 54903567

IUPACN-(methylcarbamoyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanamide
SMILESCNC(=O)NC(=O)C(C)NCc1nc(C)no1
InChIInChI=1S/C9H15N5O3/c1-5(8(15)13-9(16)10-3)11-4-7-12-6(2)14-17-7/h5,11H,4H2,1-3H3,(H2,10,13,15,16)
InChIKeyKQFHZZPCBJWXAC-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.69
Rot. Bonds4

About N-(methylcarbamoyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanamide

N-(methylcarbamoyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanamide (PubChem CID 54903567) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanamide
PubChem CID54903567
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC NameN-(methylcarbamoyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanamide
SMILESCNC(=O)NC(=O)C(C)NCc1nc(C)no1
InChIInChI=1S/C9H15N5O3/c1-5(8(15)13-9(16)10-3)11-4-7-12-6(2)14-17-7/h5,11H,4H2,1-3H3,(H2,10,13,15,16)
InChIKeyKQFHZZPCBJWXAC-UHFFFAOYSA-N
XLogP-0.69
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
CID 106372677
1-(azepan-1-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-one
CID 54903759
2,3-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 103497932
3-amino-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 62669840
2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,2-diamine
CID 103389384
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide
CID 61464371
2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide
CID 43084446
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
CID 106414068
(2S)-2-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 61163276
2-(aminomethyl)-3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 65227219
N-(methylcarbamoyl)-2-(quinolin-8-ylmethylamino)propanamide
CID 81428182
methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 115612439

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanamide?
The IUPAC name of N-(methylcarbamoyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanamide (CID 54903567) is N-(methylcarbamoyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanamide is CNC(=O)NC(=O)C(C)NCc1nc(C)no1.
What is the InChIKey of N-(methylcarbamoyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanamide?
The InChIKey is KQFHZZPCBJWXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-5(8(15)13-9(16)10-3)11-4-7-12-6(2)14-17-7/h5,11H,4H2,1-3H3,(H2,10,13,15,16).
What are the key properties of N-(methylcarbamoyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanamide?
N-(methylcarbamoyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanamide has a molecular weight of 241.25 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanamide is sourced from PubChem (CID 54903567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).