(2S,5R)-5-(aminomethyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)oxolane-2-carboxamide

C14H17N3O4 — CID 120791570

IUPAC(2S,5R)-5-(aminomethyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)oxolane-2-carboxamide
SMILESCn1c(=O)oc2ccc(NC(=O)[C@@H]3CC[C@H](CN)O3)cc21
InChIInChI=1S/C14H17N3O4/c1-17-10-6-8(2-4-11(10)21-14(17)19)16-13(18)12-5-3-9(7-15)20-12/h2,4,6,9,12H,3,5,7,15H2,1H3,(H,16,18)/t9-,12+/m1/s1
InChIKeyCIWWYRAAZFEQIB-SKDRFNHKSA-N
MW291.31 g/mol
LogP0.58
Rot. Bonds3

About (2S,5R)-5-(aminomethyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)oxolane-2-carboxamide (PubChem CID 120791570) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)oxolane-2-carboxamide
PubChem CID120791570
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)oxolane-2-carboxamide
SMILESCn1c(=O)oc2ccc(NC(=O)[C@@H]3CC[C@H](CN)O3)cc21
InChIInChI=1S/C14H17N3O4/c1-17-10-6-8(2-4-11(10)21-14(17)19)16-13(18)12-5-3-9(7-15)20-12/h2,4,6,9,12H,3,5,7,15H2,1H3,(H,16,18)/t9-,12+/m1/s1
InChIKeyCIWWYRAAZFEQIB-SKDRFNHKSA-N
XLogP0.58
TPSA99.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
CID 120782708
(2S,5R)-5-(aminomethyl)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxolane-2-carboxamide
CID 120794742
(2S,5R)-5-(aminomethyl)-N-(1-ethylindazol-6-yl)oxolane-2-carboxamide
CID 120790106
(2S,5R)-5-(aminomethyl)-N-[4-(carbamoylamino)phenyl]oxolane-2-carboxamide
CID 120785402
N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)morpholine-2-carboxamide
CID 119768162
(2S,5R)-5-(aminomethyl)-N-(4-hydroxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120801765
(2S,5R)-5-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785287
(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
CID 120782541
(2S,5R)-5-(aminomethyl)-N-(9-ethylcarbazol-3-yl)oxolane-2-carboxamide;hydrochloride
CID 120782901
(2S,5R)-5-(aminomethyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)oxolane-2-carboxamide
CID 120784202
(2S,5R)-5-(aminomethyl)-N-[3-(methylcarbamoylamino)phenyl]oxolane-2-carboxamide
CID 120785446
(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)oxolane-2-carboxamide;hydrochloride
CID 120783405

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)oxolane-2-carboxamide (CID 120791570) is (2S,5R)-5-(aminomethyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)oxolane-2-carboxamide is Cn1c(=O)oc2ccc(NC(=O)[C@@H]3CC[C@H](CN)O3)cc21.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)oxolane-2-carboxamide?
The InChIKey is CIWWYRAAZFEQIB-SKDRFNHKSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-17-10-6-8(2-4-11(10)21-14(17)19)16-13(18)12-5-3-9(7-15)20-12/h2,4,6,9,12H,3,5,7,15H2,1H3,(H,16,18)/t9-,12+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)oxolane-2-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)oxolane-2-carboxamide is sourced from PubChem (CID 120791570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).