tert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-oxazolidine-3-carboxylate

C21H40N2O3 — CID 19736481

IUPACtert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-oxazolidine-3-carboxylate
SMILESCC(C)NCC1OC(C)(C)N(C(=O)OC(C)(C)C)C1CC1CCCCC1
InChIInChI=1S/C21H40N2O3/c1-15(2)22-14-18-17(13-16-11-9-8-10-12-16)23(21(6,7)25-18)19(24)26-20(3,4)5/h15-18,22H,8-14H2,1-7H3
InChIKeyUMDAFUALPGUBLN-UHFFFAOYSA-N
MW368.56 g/mol
LogP4.70
Rot. Bonds5

About tert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-oxazolidine-3-carboxylate

tert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 19736481) has the molecular formula C21H40N2O3 and a molecular weight of 368.56 g/mol. Its IUPAC name is tert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-oxazolidine-3-carboxylate
PubChem CID19736481
Molecular FormulaC21H40N2O3
Molecular Weight368.56 g/mol
Exact Mass368.30
IUPAC Nametert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-oxazolidine-3-carboxylate
SMILESCC(C)NCC1OC(C)(C)N(C(=O)OC(C)(C)C)C1CC1CCCCC1
InChIInChI=1S/C21H40N2O3/c1-15(2)22-14-18-17(13-16-11-9-8-10-12-16)23(21(6,7)25-18)19(24)26-20(3,4)5/h15-18,22H,8-14H2,1-7H3
InChIKeyUMDAFUALPGUBLN-UHFFFAOYSA-N
XLogP4.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.56
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-oxazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-oxazolidine-3-carboxylate (CID 19736481) is tert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-oxazolidine-3-carboxylate is CC(C)NCC1OC(C)(C)N(C(=O)OC(C)(C)C)C1CC1CCCCC1.
What is the InChIKey of tert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is UMDAFUALPGUBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O3/c1-15(2)22-14-18-17(13-16-11-9-8-10-12-16)23(21(6,7)25-18)19(24)26-20(3,4)5/h15-18,22H,8-14H2,1-7H3.
What are the key properties of tert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 368.56 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 19736481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).