methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate

C16H20N4O3 — CID 23729173

IUPACmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
SMILESCCN(C(=O)OC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2
InChIInChI=1S/C16H20N4O3/c1-3-20(16(21)22-2)13-4-5-15-14(8-13)19(6-7-23-15)10-12-9-17-11-18-12/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,17,18)
InChIKeyXGGFSHRDMFWBGJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.40
Rot. Bonds4

About methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate

methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate (PubChem CID 23729173) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate.

Molecular Properties

Compound Namemethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
PubChem CID23729173
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Namemethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
SMILESCCN(C(=O)OC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2
InChIInChI=1S/C16H20N4O3/c1-3-20(16(21)22-2)13-4-5-15-14(8-13)19(6-7-23-15)10-12-9-17-11-18-12/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,17,18)
InChIKeyXGGFSHRDMFWBGJ-UHFFFAOYSA-N
XLogP2.40
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?
The IUPAC name of methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate (CID 23729173) is methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate.
What is the SMILES notation for methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?
The canonical SMILES for methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate is CCN(C(=O)OC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.
What is the InChIKey of methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?
The InChIKey is XGGFSHRDMFWBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-20(16(21)22-2)13-4-5-15-14(8-13)19(6-7-23-15)10-12-9-17-11-18-12/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,17,18).
What are the key properties of methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?
methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate has a molecular weight of 316.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate is sourced from PubChem (CID 23729173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).