tert-butyl N-[(1S,3S)-3-[(6-hydroxy-1,3-benzoxazol-2-yl)amino]cyclopentyl]carbamate

C17H23N3O4 — CID 171767393

IUPACtert-butyl N-[(1S,3S)-3-[(6-hydroxy-1,3-benzoxazol-2-yl)amino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2nc3ccc(O)cc3o2)C1
InChIInChI=1S/C17H23N3O4/c1-17(2,3)24-16(22)19-11-5-4-10(8-11)18-15-20-13-7-6-12(21)9-14(13)23-15/h6-7,9-11,21H,4-5,8H2,1-3H3,(H,18,20)(H,19,22)/t10-,11-/m0/s1
InChIKeyNPRATQSHBBXGNB-QWRGUYRKSA-N
MW333.39 g/mol
LogP3.39
Rot. Bonds3

About tert-butyl N-[(1S,3S)-3-[(6-hydroxy-1,3-benzoxazol-2-yl)amino]cyclopentyl]carbamate

tert-butyl N-[(1S,3S)-3-[(6-hydroxy-1,3-benzoxazol-2-yl)amino]cyclopentyl]carbamate (PubChem CID 171767393) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is tert-butyl N-[(1S,3S)-3-[(6-hydroxy-1,3-benzoxazol-2-yl)amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,3S)-3-[(6-hydroxy-1,3-benzoxazol-2-yl)amino]cyclopentyl]carbamate
PubChem CID171767393
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Nametert-butyl N-[(1S,3S)-3-[(6-hydroxy-1,3-benzoxazol-2-yl)amino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2nc3ccc(O)cc3o2)C1
InChIInChI=1S/C17H23N3O4/c1-17(2,3)24-16(22)19-11-5-4-10(8-11)18-15-20-13-7-6-12(21)9-14(13)23-15/h6-7,9-11,21H,4-5,8H2,1-3H3,(H,18,20)(H,19,22)/t10-,11-/m0/s1
InChIKeyNPRATQSHBBXGNB-QWRGUYRKSA-N
XLogP3.39
TPSA96.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,4-dimethylcyclohexyl)amino]-1,3-benzoxazole-6-carboxylic acid
CID 116691430
tert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate
CID 71629873
tert-butyl (3S)-3-(1,3-benzoxazol-2-ylamino)pyrrolidine-1-carboxylate
CID 71629265
tert-butyl N-[(1S,3S)-3-[(6-methoxy-4-methylquinolin-2-yl)amino]cyclopentyl]carbamate
CID 86608909
tert-butyl N-[4-[(5-chloro-1,3-benzoxazol-2-yl)carbamoyl]cyclohexyl]carbamate
CID 166158864
tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate
CID 79461940
tert-butyl N-[(1R,3R)-3-[(5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate
CID 146502731
tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate
CID 107849928
2-(oxan-4-ylamino)-1,3-benzoxazole-6-carboxylic acid
CID 116690769
tert-butyl N-[(1S,3S)-3-[(5-iodopyrimidin-2-yl)amino]cyclopentyl]carbamate
CID 171767267
tert-butyl N-[(1R)-3-(2-bromo-4-methylanilino)cyclopentyl]carbamate
CID 129193732
tert-butyl N-[(1S,3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]carbamate
CID 178169270

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,3S)-3-[(6-hydroxy-1,3-benzoxazol-2-yl)amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,3S)-3-[(6-hydroxy-1,3-benzoxazol-2-yl)amino]cyclopentyl]carbamate (CID 171767393) is tert-butyl N-[(1S,3S)-3-[(6-hydroxy-1,3-benzoxazol-2-yl)amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,3S)-3-[(6-hydroxy-1,3-benzoxazol-2-yl)amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,3S)-3-[(6-hydroxy-1,3-benzoxazol-2-yl)amino]cyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2nc3ccc(O)cc3o2)C1.
What is the InChIKey of tert-butyl N-[(1S,3S)-3-[(6-hydroxy-1,3-benzoxazol-2-yl)amino]cyclopentyl]carbamate?
The InChIKey is NPRATQSHBBXGNB-QWRGUYRKSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-17(2,3)24-16(22)19-11-5-4-10(8-11)18-15-20-13-7-6-12(21)9-14(13)23-15/h6-7,9-11,21H,4-5,8H2,1-3H3,(H,18,20)(H,19,22)/t10-,11-/m0/s1.
What are the key properties of tert-butyl N-[(1S,3S)-3-[(6-hydroxy-1,3-benzoxazol-2-yl)amino]cyclopentyl]carbamate?
tert-butyl N-[(1S,3S)-3-[(6-hydroxy-1,3-benzoxazol-2-yl)amino]cyclopentyl]carbamate has a molecular weight of 333.39 g/mol, XLogP of 3.39, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,3S)-3-[(6-hydroxy-1,3-benzoxazol-2-yl)amino]cyclopentyl]carbamate is sourced from PubChem (CID 171767393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).