tert-butyl N-[1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate

C20H26N4O3 — CID 123780941

IUPACtert-butyl N-[1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate
SMILESCc1noc(C)c1-c1cc2c(ccn2C)nc1C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H26N4O3/c1-11-17(13(3)27-23-11)14-10-16-15(8-9-24(16)7)22-18(14)12(2)21-19(25)26-20(4,5)6/h8-10,12H,1-7H3,(H,21,25)
InChIKeyOPOADLSFPPFTDW-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.43
Rot. Bonds3

About tert-butyl N-[1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate

tert-butyl N-[1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate (PubChem CID 123780941) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is tert-butyl N-[1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate
PubChem CID123780941
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Nametert-butyl N-[1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate
SMILESCc1noc(C)c1-c1cc2c(ccn2C)nc1C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H26N4O3/c1-11-17(13(3)27-23-11)14-10-16-15(8-9-24(16)7)22-18(14)12(2)21-19(25)26-20(4,5)6/h8-10,12H,1-7H3,(H,21,25)
InChIKeyOPOADLSFPPFTDW-UHFFFAOYSA-N
XLogP4.43
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-[6-(2-amino-4-pyridinyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate
CID 123956691
tert-butyl N-[(1S)-1-[6-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate
CID 118214745
tert-butyl N-[(1S)-1-[6-[3-(1,3-dioxoisoindol-2-yl)piperidin-1-yl]-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate
CID 118214741
tert-butyl N-(1-phenanthridin-6-ylethyl)carbamate
CID 141472588
tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 56770615
tert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate
CID 130470626
5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid
CID 67124246
3-[1-methyl-5-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]pyrrolo[3,2-b]pyridin-6-yl]-2,5-dihydropyrrole-1-carboxylic acid
CID 118207765
tert-butyl N-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate
CID 71846045
ethyl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate
CID 59421483
tert-butyl N-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]carbamate
CID 90739985
tert-butyl 4-[[5-[(1S)-1-[(2-amino-5-cyano-6-methylpyrimidin-4-yl)amino]ethyl]-1-methylpyrrolo[3,2-b]pyridin-6-yl]amino]piperidine-1-carboxylate
CID 118214760

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate (CID 123780941) is tert-butyl N-[1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate is Cc1noc(C)c1-c1cc2c(ccn2C)nc1C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate?
The InChIKey is OPOADLSFPPFTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-11-17(13(3)27-23-11)14-10-16-15(8-9-24(16)7)22-18(14)12(2)21-19(25)26-20(4,5)6/h8-10,12H,1-7H3,(H,21,25).
What are the key properties of tert-butyl N-[1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate?
tert-butyl N-[1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate has a molecular weight of 370.45 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate is sourced from PubChem (CID 123780941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).