1-(3-aminopropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea

C10H18N4O2 — CID 96603384

IUPAC1-(3-aminopropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
SMILESCc1noc(C)c1CN(CCCN)C(N)=O
InChIInChI=1S/C10H18N4O2/c1-7-9(8(2)16-13-7)6-14(10(12)15)5-3-4-11/h3-6,11H2,1-2H3,(H2,12,15)
InChIKeyBIEYFWKZIIWWJE-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.52
Rot. Bonds5

About 1-(3-aminopropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea

1-(3-aminopropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea (PubChem CID 96603384) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(3-aminopropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-aminopropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
PubChem CID96603384
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name1-(3-aminopropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
SMILESCc1noc(C)c1CN(CCCN)C(N)=O
InChIInChI=1S/C10H18N4O2/c1-7-9(8(2)16-13-7)6-14(10(12)15)5-3-4-11/h3-6,11H2,1-2H3,(H2,12,15)
InChIKeyBIEYFWKZIIWWJE-UHFFFAOYSA-N
XLogP0.52
TPSA98.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride
CID 119331106
3-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
CID 119796957
(2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide
CID 61164745
1-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide
CID 115437572
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylprop-2-enamide
CID 60949726
2-amino-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-oxoethyl]acetamide
CID 60964166
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-hydroxy-N-methylpentanamide
CID 79199241
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 47010607
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81088478
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethylsulfonyl-N-methylacetamide
CID 86827719
2-[4-(aminomethyl)triazol-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 115459393

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea?
The IUPAC name of 1-(3-aminopropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea (CID 96603384) is 1-(3-aminopropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(3-aminopropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea?
The canonical SMILES for 1-(3-aminopropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea is Cc1noc(C)c1CN(CCCN)C(N)=O.
What is the InChIKey of 1-(3-aminopropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea?
The InChIKey is BIEYFWKZIIWWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7-9(8(2)16-13-7)6-14(10(12)15)5-3-4-11/h3-6,11H2,1-2H3,(H2,12,15).
What are the key properties of 1-(3-aminopropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea?
1-(3-aminopropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea has a molecular weight of 226.28 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea is sourced from PubChem (CID 96603384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).