1-amino-N-[[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide

C16H26N4O2 — CID 95211190

IUPAC1-amino-N-[[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
SMILESCc1noc(C)c1CN1CC[C@@H](CNC(=O)C2(N)CCC2)C1
InChIInChI=1S/C16H26N4O2/c1-11-14(12(2)22-19-11)10-20-7-4-13(9-20)8-18-15(21)16(17)5-3-6-16/h13H,3-10,17H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyXBRUDCOAMLLIPQ-ZDUSSCGKSA-N
MW306.41 g/mol
LogP1.11
Rot. Bonds5

About 1-amino-N-[[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide

1-amino-N-[[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide (PubChem CID 95211190) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-amino-N-[[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
PubChem CID95211190
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-amino-N-[[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
SMILESCc1noc(C)c1CN1CC[C@@H](CNC(=O)C2(N)CCC2)C1
InChIInChI=1S/C16H26N4O2/c1-11-14(12(2)22-19-11)10-20-7-4-13(9-20)8-18-15(21)16(17)5-3-6-16/h13H,3-10,17H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyXBRUDCOAMLLIPQ-ZDUSSCGKSA-N
XLogP1.11
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclobutane-1-carboxamide
CID 81168317
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea
CID 97314273
1-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
CID 95228987
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 56828639
N-(2,2-difluoroethyl)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]acetamide
CID 175648462
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907958
1-amino-N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 154884967
N-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-3-yl]methyl]acetamide
CID 75462370
ethyl N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]carbamate
CID 94154330
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-3-carbaldehyde
CID 62654932
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 63849125
2-[(1S,3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide
CID 131685766

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide (CID 95211190) is 1-amino-N-[[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide is Cc1noc(C)c1CN1CC[C@@H](CNC(=O)C2(N)CCC2)C1.
What is the InChIKey of 1-amino-N-[[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide?
The InChIKey is XBRUDCOAMLLIPQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11-14(12(2)22-19-11)10-20-7-4-13(9-20)8-18-15(21)16(17)5-3-6-16/h13H,3-10,17H2,1-2H3,(H,18,21)/t13-/m0/s1.
What are the key properties of 1-amino-N-[[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide?
1-amino-N-[[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 95211190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).