tert-butyl N-[3-[4-(aminomethyl)-1,3-oxazol-5-yl]propyl]carbamate;hydrochloride

C12H22ClN3O3 — CID 138376947

IUPACtert-butyl N-[3-[4-(aminomethyl)-1,3-oxazol-5-yl]propyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NCCCc1ocnc1CN.Cl
InChIInChI=1S/C12H21N3O3.ClH/c1-12(2,3)18-11(16)14-6-4-5-10-9(7-13)15-8-17-10;/h8H,4-7,13H2,1-3H3,(H,14,16);1H
InChIKeyDDPANMXFXGSMPG-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.01
Rot. Bonds5

About tert-butyl N-[3-[4-(aminomethyl)-1,3-oxazol-5-yl]propyl]carbamate;hydrochloride

tert-butyl N-[3-[4-(aminomethyl)-1,3-oxazol-5-yl]propyl]carbamate;hydrochloride (PubChem CID 138376947) has the molecular formula C12H22ClN3O3 and a molecular weight of 291.78 g/mol. Its IUPAC name is tert-butyl N-[3-[4-(aminomethyl)-1,3-oxazol-5-yl]propyl]carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-[3-[4-(aminomethyl)-1,3-oxazol-5-yl]propyl]carbamate;hydrochloride
PubChem CID138376947
Molecular FormulaC12H22ClN3O3
Molecular Weight291.78 g/mol
Exact Mass291.13
IUPAC Nametert-butyl N-[3-[4-(aminomethyl)-1,3-oxazol-5-yl]propyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NCCCc1ocnc1CN.Cl
InChIInChI=1S/C12H21N3O3.ClH/c1-12(2,3)18-11(16)14-6-4-5-10-9(7-13)15-8-17-10;/h8H,4-7,13H2,1-3H3,(H,14,16);1H
InChIKeyDDPANMXFXGSMPG-UHFFFAOYSA-N
XLogP2.01
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-(aminomethyl)-1,3-oxazol-5-yl]propyl]carbamate;hydrochloride?
The IUPAC name of tert-butyl N-[3-[4-(aminomethyl)-1,3-oxazol-5-yl]propyl]carbamate;hydrochloride (CID 138376947) is tert-butyl N-[3-[4-(aminomethyl)-1,3-oxazol-5-yl]propyl]carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-[3-[4-(aminomethyl)-1,3-oxazol-5-yl]propyl]carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-[3-[4-(aminomethyl)-1,3-oxazol-5-yl]propyl]carbamate;hydrochloride is CC(C)(C)OC(=O)NCCCc1ocnc1CN.Cl.
What is the InChIKey of tert-butyl N-[3-[4-(aminomethyl)-1,3-oxazol-5-yl]propyl]carbamate;hydrochloride?
The InChIKey is DDPANMXFXGSMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3.ClH/c1-12(2,3)18-11(16)14-6-4-5-10-9(7-13)15-8-17-10;/h8H,4-7,13H2,1-3H3,(H,14,16);1H.
What are the key properties of tert-butyl N-[3-[4-(aminomethyl)-1,3-oxazol-5-yl]propyl]carbamate;hydrochloride?
tert-butyl N-[3-[4-(aminomethyl)-1,3-oxazol-5-yl]propyl]carbamate;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[4-(aminomethyl)-1,3-oxazol-5-yl]propyl]carbamate;hydrochloride is sourced from PubChem (CID 138376947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).